PROFILE

Dr. J. JEYAKANTHAN Professor and Head Department of Bioinformatics Alagappa University Karaikudi - 630004 Tamil Nadu, India

Dr. J. JEYAKANTHAN

Professor and Head Phone : +91-4565 - 230725 Department of Bioinformatics Mobile : +91-9789809245 #402,4th Floor, Science Block Fax : +91-4565 - 225202

Alagappa University E-mail : [email protected] Karaikudi-630004 [email protected] Tamil Nadu, India Website : www.jjkanthan.org www.alagappauniversity.ac.in TEACHING AND RESEARCH EXPERIENCE

Position Institute/University Period

Professor and Head Department of Bioinformatics March 2010 - Till date*

Research Scientist SPring-8, Japan May 2007 - March 2010

Researcher RIKEN Harima Institute, SPring-8, Japan June 2003 - May 2007

PDF Indian Institute of Science, Bangalore January 2000 - May 2003

ACADEMIC COMPETENCE

Year of Passing Degree/Diploma University/Institution

2020-21 D.Sc (Registered) Alagappa University 2000 Ph.D. (Crystallography and Biophysics) University of Madras 1999 P.G.D.C.A MIT, Anna University 1995 M. Phil. (Physics) M. K. University 1993 M.Sc. (Physics) M. K. University 1991 B.Ed. University of Madras 1989 B.Sc (Physics) M. K. University

RESPONSIBILITIES - AUTHORITY

Syndicate of Alagappa University (Nominated by Hon'ble Governor 2016 - 19 Member of Tamil Nadu) 2010 - * Member Senate of Alagappa University

RESPONSIBILITIES – ADMINISTRATION

2019 - * Director Alagappa University Ranking Cell (AURC)

2018 - 19 Member Finance Committee of Alagappa University

2016 - 19 Member Purchase Committee of Alagappa University

2018 - 19 Member Governing Council for DDE, Alagappa University

2018 - 19 Member Board of Governors of RUSA 2.0, Alagappa University Center for Internal Quality Assurance Committee, Directorate of 2019-* Director Online Programmes, Alagappa University Internal Quality Assurance Committee, Directorate of Distance 2018 -* Member Education (DDE), Alagappa University 2018 -* Member Sports Advisory Board Tamil Nadu State University Rating Framework (TANSURF), 2018 -* Coordinator Alagappa University DST-PURSE Program (Phase-II) – All Science Departments, 2017 - * Coordinator Alagappa University 2017 - 19 Coordinator National Institutional Ranking Framework Cell

2015 - 17 Director Directorate of Collaborative Programmes, Alagappa University

2012 - 16 Director Centre for International Relations, Alagappa University

ACADEMIC RESPONSIBILITIES - ALAGAPPA UNIVERSITY

2019 Head of the Department of Botany, Alagappa University (Mar – Nov) Department 2018 - * Member Research Committee, Bharathidasan University, Trichy

DST-FIST Program (Level-I), Department of Bioinformatics, 2017 - * Coordinator Alagappa University

2016 - * Member Research Advisory Committee (RAC), Alagappa University

2016 - * Academic staff Anti-Ragging Committee, Alagappa University

2015 - * Chairperson School of Biological Sciences, Alagappa University

UGC Innovative Program (PG Diploma), Department of 2013 - * Coordinator Bioinformatics, Alagappa University

2012 - 15 Member Research Advisory Committee, Alagappa University

2012 - 13 Coordinator Career Guidance & Counseling Cell, Alagappa University

2010 - * Member Website Maintenance Committee, Alagappa University

2010 - * Member Standing Committee on Academic Affairs, Alagappa University

2010 - 16 Member Internal Quality Assurance Cell (IQAC)

2010 - * Chairman Board of Studies of Bioinformatics, Alagappa University Head of the 2010 - * Department of Bioinformatics, Alagappa University Department

ACADEMIC RESPONSIBILITIES - OTHER UNIVERSITY/ INSTITUTES

Local Program Planning & Management Committee (LPPMC), 2019 - * Member Bharathiar University, Coimbatore Research Advisory Committee, Karpagam Academy of Higher 2019 - * Member Education, Coimbatore Academic Council, Thassim Beevi Abdul Kader College for Women, 2017 -19 Member Ramanathapuram Standing Committee on Academic Affairs, Bharathidasan University, 2015 - 18 Member Trichy. 2015 - 20 UGC Nominee SAP implementation and governance of in Department of Physics, Punjab University, Chandigarh

RESPONSIBILITIES IN CURRICULUM DEVELOPMENT - OTHER UNIVERSITY/ INSTITUTES

Board of Studies in Department of Bioinformatics, School of Chemical 2020 - * Member and Biotechnology, SASTRA Deemed University, Thanjavur. 2019 Chairman Board of Studies of Botany, Alagappa University (Mar – Nov) Board of Studies in Environmental Biotechnology, Bharathidasan 2018 - * Member University, Trichy Board of Studies in Bioinformatics, Bharathiar University, 2018 - * Member Coimbatore Board of Studies in Bioinformatics and Information Technology, 2015 - 18 Member Thiruvalluvar University, Vellorarche. Board of Studies in Bioinformatics (UG, PG & PG Diploma), 2015 - 18 Chairman Bharathidasan University, Trichy. Board of Studies in Bioinformatics, Bharathiar University, 2015 - 17 Member Coimbatore Board of Studies in Faculty of Bio and Chemical Engineering, 2014 - 17 Member Sathyabama University, Chennai. University Board of Studies of Bioinformatics (Bharathidasan University), Holy 2013 - 16 Representative Cross College, Trichy 2012 - 15 Member Board of Studies of Bioinformatics, Periyar University, Salem

2012 - 15 Member Board of Studies of Physics, V.H.N.S.N. College, Virudhunagar

MEMBERSHIP IN SCIENTIFIC SOCIETIES

S. No Position Affiliation/Society/Body 1. Member American Crystallographic Association Vice-President & Life 2. Bioinformatics and Drug Discovery Society (BIDDS) Member 3. Member British Crystallographic Association Executive Committee 4. Indian Crystallographic Association Member 5. Indian Science Congress Association 6. Chemical Research Society of India Life Member 7. Society of Biological Chemists, India 8. Biotech Research Society, India 9. Member World Directory of Crystallographers

RESEARCH PROFILE

Broad subject : Structural Biology and Bio-Computing Area of Specialization : Small and Macro Molecule X-ray Crystallography Current Research focus Prof. J. Jeyakanthan has been concentrating on three major thrust areas such as Structural Biology, Computer Aided Drug Design and Bio-Computing. He has 25 years of Research experience and his research focus on the Structural and Functional aspects of model organisms Thermus thermophilus HB8 and Pyrococcus horikoshii OT3 (which shares similarity to human genome) along with the disease associated targets like Cancer (Pak1), Diabetes (SIRT4), Chikungunya (nsP2 Protease), Dengue (STAT2), Filariasis (lysine biosynthesis proteins of Wolbachia endosymbiont of Brugia malayi), Malaria (Plasmodium falciparum) and nosocomial infection caused by ESKAPE Pathogens. Also, his group is involved in the identification of druggable targets from the clinical isolates of Nocardia species. FUNDS RECEIVED

TOTAL FUNDS RECEIVED FOR VARIOUS RESEARCH SCHEMES, PROJECTS, FELLOWSHIPS AND ORGANIZING CONFERENCES: Rs. 1551.09 Lakhs

RESEARCH PROJECTS

FUNDS RECEIVED : Rs. 666.655 Lakhs

Amount

Ongoing Research Projects Position Agency Period Status S. No. (Rs in Lakhs) Structural and functional insights of DST potential anti-malarial drug targets 2020- 1. PI INDO- 73.72 -Ongoing- of G6PD and 6PGD from Plasmodium 2023 TAIWAN falciparum(3D7) Design, Synthesis and in vitro anticancer activity of novel and DAE- 2018- 2. PI 30.33 -Ongoing- potent p21 activated kinase 1 BRNS 2021 (Pak1) inhibitors Structural and functional characterization of phospeotransacetylase (PTA) and 2021- 3. Acetate Kinase (ACKA) from PI TANSCHE 29.805 -Ongoing- 2023 Mycobacterium tuberculosis H3R7Rv using in silico and in vitro studies

Amount Completed Research Project S. No. Position Agency (Rs. in Period Status

Lakhs) Structural insights of SIRT4 protein from Homo sapiens to identify 2017- 1. PI ICMR 33.34 Completed inhibitors for the treatment of Type- 2020 II diabetes Identification of Potential Anti- Filiarial drug targeted enzymes DST- 2016- 2. Wbm0441, Wbm0042 from PI 69.38 Completed SERB 2019 Wolbachia endosymbiont Brugia malayi Structural and Functional Insights of potential therapeutic dengue fever 2016- 3. PI UGC-RA 37.8 Completed target STAT2 protein from Homo 2018 Sapiens Development of Web Based Search Engines for the Analyses of Protein 2015- 4. PI DBT 13.81 Completed interactions with Nucleotides, Fatty 2018 Acids and Buffers Structural and Functional Studies of 2013- 5. Purine Biosynthesis complex from PI DST 48.98 Completed Pyrococcus horikoshii OT3 2016 Structural and Functional Studies of DBT- 2013- 6. Translation Initiation factors from PI 77.00 Completed Twin 2016 Pyrococcus horikoshii OT3 Structure determination of CPS and ATCase of Thermus thermophilus 2012- 7. PI DBT 32.16 Completed HB8 and identification of potential 2015 inhibitors Structural and Functional analysis of Orotate Phosphoribosyl transferase (TTHA1742) and 2012- 8. PI DBT 50.25 Completed Dihydroorotate Dehydrogenase 2015 (TTHA0779) from Thermus thermophilus HB8 Structure and functional studies on 2012- 9. PH0140 protein from Pyrococcus PI UGC 12.903 Completed horikoshii OT3 2015 Identification of novel drug..... of the DBT- 2014- 10. Co-PI 73.69 Completed pathogen (TWIN Program) Twin 2017 The use of biodiversity as a ……. DBT- 2010- 11. Co-PI 83.49 Completed molecular targets of Tuberculosis Twin 2013

GRANTS GENERATED FOR VARIOUS RESEARCH SCHEMES/SUPPORTING PROGRAMMES

FUNDS RECEIVED : Rs. 816 Lakhs + 2 Assistant Professor Salaries for 5 yrs

Amount S. No. Title Position Agency Period Status (Rs in Lakhs) UGC Innovative Programme 54 + 2 Assistant 1. – PG Diploma in Structural Coordinator UGC Professor Salary 2013-* Ongoing Pharamacogenomics for 5 yrs

2. DST-FIST Level-I Coordinator DST 62 2018-* Ongoing

DST-PURSE Programme 3. (Phase 2 ) – All Science Coordinator DST 700 2017-* Ongoing Departments

RESEARCH FELLOWSHIP PROJECTS AS MENTOR FUNDS RECEIVED : Rs. 64.46 Lakhs Amount S. No. Title Position Agency Period Status (Rs in Lakhs) Structural and functional studies on Transcriptional regulatory proteins from UGC 2014- 1. Thermus thermophilus HB8 Research Mentor 18.16 Completed (MANF) 2019 and Pyrococcus horikoshii OT3 - In silico and in vitro studies Transcriptional Regulation by p21-Activating kinase-1 with an Agonist RUNX3 and UGC 2016- 2. Antagonist peptides Research Mentor 19.06 Completed (OBC) 2021 modulating Pancreatic Cancer: A Structural and Computational approach Structural and functional elucidation and inhibitors ICMR 3. identification for SMATase Research Mentor 08.97 2018- Completed from Serratia marcescens to (SRF) 2020 overcome antibiotic resistance Structural insights mechanism of type II diabetes proteins from ICMR 2019- 4. home sapiens to identify Research Mentor 08.80 Ongoing (SRF) 2021 potential inhibitors computational and biochemical studies Experimental and Computational studies on Proteins involved in ICMR 2020- 5. Peptidoglycan biosynthesis Research Mentor 09.472 Ongoing (SRF) 2022 pathway from Wolbachia Endosymbiont of Brugia malayi

GRANTS GENERATED FOR ORGANIZING CONFERENCES FUNDS RECEIVED : Rs. 43.50 Lakhs (Rs in Lakhs) S. Title Position No. Funding Sources Industrial Total Sponsors DBT 1.50 International Conference on Recent DST 2.00 Trends in Structural Bioinformatics 1. Convener CSIR 1.00 2.25 12.50 and Computer Aided Drug Design INSA 0.50 (ICSBCADD’2019) AU-RUSA 5.00 TNSCST 0.25 11th National Symposium cum DST 1.50 Workshop on Recent Trends in 2. Structural Bioinformatics and Convener 0.50 5.75 Computer Aided Drug Design AU-RUSA 3.75 (SBCADD’2019) th DBT 1.00 10 National Symposium cum Organizing 3. 1.75 Workshop on Recent Trends in Secretary DST 1.50 6.05 Structural Bioinformatics and ICMR 0.40 Computer Aided Drug Design CSIR 0.50 (SBCADD’2018) AU 0.90 9th National Symposium cum DBT 0.50 Workshop on Recent Trends in 4. Structural Bioinformatics and Convener ICMR 0.40 0.70 1.85 Computer Aided Drug Design (SBCADD’2017) TNSCST 0.25 8th National Symposium cum DBT 1.00 Workshop on Recent Trends in 5. Structural Bioinformatics and Convener 0.70 2.70 Computer Aided Drug Design AU 1.00 (SBCADD’2016) DBT 0.50 7th National Symposium cum Workshop on Recent Trends in Organizing DST 1.50 6. Structural Bioinformatics and 0.90 3.65 Secretary TNSCST 0.25 Computer Aided Drug Design (SBCADD’2015) AU 0.50 6th National Symposium cum DBT 1.00 Workshop on Recent Trends in 7. Structural Bioinformatics and Convener CSIR 0.25 0.75 3 Computer Aided Drug Design UGC 1.00 (SBCADD’2014) 5th National Symposium cum DBT 2.00 Workshop on Recent Trends in 8. Structural Bioinformatics and Convener 0.50 3.50 Computer Aided Drug Design DST 1.00 (SBCADD’2013) 4th National Symposium cum DBT 2.00 Workshop on Recent Trends in 9. Structural Bioinformatics and Convener 0.30 2.55 Computer Aided Drug Design TNSCST 0.25 (SBCADD’2012) rd 3 National Symposium cum DBT 0.75 Workshop on Recent Trends in Organizing 10. TNSCST 0.20 - Structural Bioinformatics and Secretary 1.95 Computer Aided Drug Design (SBCADD’2010) AU 1

RESEARCH GUIDANCE

S. Name of the Year of Year of Title No candidate Registration Completion Structural and Functional Studies on Pyrimidine 1. K. Surekha Biosynthetic enzymes from hyperthermophile 2011 May, 2018 Thermus thermophilus HB8 Structural and Functional Characterization of 2. M. Nachiappan Aminoacyl tRNA Synthetases using in vitro and in 2011 May, 2019 silico Approaches Structural and Functional Studies of Notch Sanjay Kumar 3. Signaling Crosstalk Pathway Proteins from Homo 2013 August, 2019 Choubey Sapiens Structural and Functional Characterization of 4. D. Prabhu 2012 July, 2020 Streptomycin Adenylyltransferase using in silico and in vitro approaches. Web based computing servers for the analysis of 5. R. Santhosh 2013 October, 2020 Biological Macromolecules Structural and functional studies on Purine 6. R. Guru Raj Rao Biosynthesis enzymes from Pyrococcus horikoshii 2014 2021 OT3: An Insilico and Invitro Apporach Structural and Functional Studies on Transcriptional Regulatory proteins from 7. M. Richard 2014 Ongoing Thermus thermophilus HB8 and Pyrococcus horikoshii OT3 – In silico and In vitro approaches Structure based design and Biological Validation 8. Jayashree Biswal 2014 Ongoing of Inhibitors for Selected Activated Kinases Structural Insights mechanism of Type II diabetes proteins from Homo sapiens to identify potential 9. J. Prajisha 2015 Ongoing inhibitors- Computational and Biochemical studies Computational Design and Discovery of Potential 10. R. Raghu 2015 Ongoing Kinase Inhibitors Structural Studies on Polyamine Biosynthesis 11. M. Veerapandiyan 2016 Ongoing Enzymes Experimental and computational studies on 12. P. Saritha protein involved in peptidoglycan biosynthesis 2018 Ongoing pathway from pathogens Structural and Functional Insights on Anti-Filarial 13. M. Amala Drug targeted enzymes using in silico and in vitro 2018 Ongoing approach Web based server for protein sequences and 14. S. Madhumathi structures through data mining and 2019 Ongoing Computational approaches Computational and Experimental 15. R. Raji Characterization of Therapeutic Protein Targets 2020 Ongoing in Acinetobacter baumannii Dissertation Supervision Degree Ongoing Completed M. Phil - Alagappa: 8 Other: - M.Sc/ M.Tech Alagappa: - Other: - Alagappa: 14 Other: 12 Others Alagappa: - Other: - Alagappa: 13 Other: 7 Project Fellows 01 05 Post Doctoral Fellows/ - 04 Research Associate

AWARDS & HONORS

Fellowships S. No Fellowship Agency Period 1. IRPHA August 2001- May 2003 Post- Doctoral Fellowship 2. DST October 2000 - July 2001 3. DBT March 2000 - September 2000 4. Senior Research Fellowship CSIR December 1997– December 2000

National Awards S. No Award Agency Year Tamil Nadu State Council for Science and 1. Tamil Nadu Scientist Award (TANSA-2018) 2020 Technology MHRD –Leadership for Academicians NIT-Trichy, IIIT-Sri City & NTU- 2. 2019 Programme (LEAP) Singapore 3. Research Award (with 2 years salary) UGC 2016 4. Elected Fellow (FASCh.) Academy of Sciences, Chennai 2015 5. SAP Nominee - Punjab University UGC 2015 6. You ng Scientist Travel Grant DST 1999

International Awards S. No Award Agency Year 1. Who’s Who Scientific Directory ‘Marquis’ 2007 2. Young Scientist Travel Grant UNESCO 1999 3. Young Scientist Fellow IUCr 1999

INTERNATIONAL VISIT FOR ACADEMIC/ RESEARCH PURPOSE

S. No Name of the University Country Purpose Duration Binary University of Management 1. and Entrepreneurship Malaysia 29th-31st January, 2019 2. Open University of Malyasia Academic and 3. Tangshan Polytechnic College Research China Collaborations 8th – 10th April, 2019 4. Tianjin University 5. Nanyang Technological University Singapore 11th – 12th April, 2019

INTERNATIONAL VISITS AS VISITING SCIENTIST/RESEARCHER

S. No Institute Period 1. National Synchrotron Radiation Research Center, Taiwan 05th - 08th December, 2017 2. Osaka University and RIKEN SPring-8, Japan 22nd - 30th June, 2014 3. Osaka University and RIKEN SPring-8, Japan 02nd - 08th December, 2012 4. Osaka University and RIKEN SPring-8, Japan 09th - 16th December, 2011 5. Osaka University and RIKEN SPring-8, Japan 22nd March - 6th June, 2010

MOU EXECUTED WITH INSTITUTES & UNIVERSITIES

International

S. No Institute Purpose Period Status National Synchrotron Radiation Joint Research and 1. 2017-20 Ongoing Research Centre (NSRRC), Taiwan Academic Programmes National Synchrotron Radiation Joint Research and 2. 2014-17 Completed Research Centre (NSRRC), Taiwan Academic Programmes School of Science, Osaka University, Academic and Student 3. 2010-15 Completed Japan Exchange Program Institute for Protein Research (IPR), 4. Collaborative Research 2010-15 Completed Japan 5. RIKEN, Kanagawa, Japan Collaborative Research 2010-15 Completed Bio-Metal Science Lab, RIKEN, Material Transfer 6. 2010-15 Completed Spring-8, Japan Agreement

National

S. No Institute Purpose Period Status

CSIR-Institute of Genomics & 1. Collaborative Research 2020-25 Ongoing Integrative Biology, Delhi Bishop Heber College (Autonomous, Joint Research and 2. 2018-23 Ongoing Tiruchirappalli) Academic Programmes Indian Institute of Technology- Joint Research and 3. 2017-22 Ongoing Madras, Chennai Academic Programmes Sri Ramachandra University, Joint Research and 4. 2016-21 Ongoing Chennai Academic Programmes Academia and Industry training towards 5. GE Healthcare Pvt. Ltd., Karnataka 2017-19 Completed application on Protein related studies

ACADEMIC/ RESEARCH EVENTS ORGANIZED IN LEAD ROLES

S. No Position Event Title Date E-Learning Program on “BIOINFORMATICS AS 1. Convener May 19th - 30th, 2020 CARTOGRAPHIC TOOL IN DRUG DISCOVERY” International Conference on Recent Trends in Structural 2. Convener Bioinformatics and Computer Aided Drug Design Dec. 11th -13th, 2019 (ICSBCADD’2019) International Conference on Innovative and Emerging 3. Convener Nov. 6th -7th, 2019 Trends in Botany (ICIETB-2019) 11th National Symposium cum Workshop on Recent 4. Convener Trends in Structural Bioinformatics and Computer Aided Feb. 12th-15th, 2019 Drug Design (SBCADD’2019) 10th National Symposium cum Workshop on Recent Organizing 5. Trends in Structural Bioinformatics and Computer Aided Feb. 20th-23rd, 2018 Secretary Drug Design (SBCADD’2018) 9th National Symposium cum Workshop on Recent 6. Convener Trends in Structural Bioinformatics and Computer Aided Feb. 14th-17th, 2017 Drug Design (SBCADD’2017) Organizing Fire and Safety Awareness Camp for our University 7. Oct. 19th, 2016 Secretary Students and Staff members Organizing Eye Camp for Faculty members, Administrative Staffs 8. Oct. 5th, 2016 Secretary and Students of our University 9. Convener World Habitat Day Celebration Oct. 3rd, 2016 International Conference on Recent Trends in 10. Co-Convener Apr. 07th - 09th, 2016 Biosciences-2016 (ICRTB-2016) 8th National Symposium cum Workshop on Recent 11. Convener Trends in Structural Bioinformatics and Computer Aided Feb. 16th-19th, 2016 Drug Design (SBCADD’2016) 12. Convener World Habitat Day Celebration Oct. 15th, 2015 7th National Symposium cum Workshop on Recent Organizing 13. Trends in Structural Bioinformatics and Computer Aided Feb. 24th-27th, 2015 Secretary Drug Design (SBCADD’2015) 14. Convener World Creativity Day celebration Apr. 21st, 2014 6th National Symposium cum Workshop on Recent 15. Convener Trends in Structural Bioinformatics and Computer Aided Feb. 18th-21st, 2014 Drug Design (SBCADD’2014) 5th National Symposium cum Workshop on Recent 16. Convener Trends in Structural Bioinformatics and Computer Aided Feb. 19th-22nd, 2013 Drug Design (SBCADD’2013) 4th National Symposium cum Workshop on Recent 17. Convener Trends in Structural Bioinformatics and Computer Aided Feb. 20th-23rd, 2012 Drug Design (SBCADD’2012) 18. Convener Nation Youth Day celebration Jan. 12th, 2012 19. Convener World Water Day celebration Mar, 22nd, 2011 3rd National Symposium cum Workshop on Recent Organizing 20. Trends in Structural Bioinformatics and Computer Aided Dec. 20th-22nd, 2010 Secretary Drug Design (SBCADD’2010)

DETAILS OF IMPACT FACTOR, CITATIONS AND H-INDEX

Cumulative Impact Factor : 454.075 H-index : 21 i10 index : 52 Total Citations : 1800

RESEARCH PUBLICATIONS IN SCIENTIFIC JOURNALS Total number of papers published: 166 Journal, Issue No. Impact S. No Author details and Title of Paper and Page, etc factor K. Mohanrasu, R. Guru Raj Rao, G.H. Dinesh, Kunyu Zhang, Sudhakar Muniyasamy, A. Pugazhendhi, J. Jeyakanthan, Kumar Ponnuchamy, M. Govarthanan, A. Arun. Production Int.J Bio Macromol, 166 6.953 and Characterization of biodegradable 2021 Polyhydroxybutyrate by Micrococcus luteus isolated from marine environment. Rahul Kanumuri, Aruna Kumar Chelluboyina, Jayashree Biswal, Ravichandran Vignesh, Akkanapally Venu, Vaishnavi B, Leena DJ, Jeyakanthan Jeyaraman, Ganesan Kumaresan, Gopala Krishna Aradhyam, and Ganesh 165 Oncogene, 2021 9.867 Venkatraman, Suresh Rayala. Small peptide inhibitor from the sequence of RUNX3 disrupts PAK1-RUNX3 interaction and abrogates its phosphorylation dependent oncogenic function. Muthumanickam Sankar, Boomi Pandi, Nachiyappan Mutharasan, Balajee Ramachandran, Vidhyavathi Ramasamy, Poorani Gurumallesh Prabu, Shanmugaraj Gowrishankar, Yao Wang, Biruntha Muniyandi, Front. Mol. Subaskumar Rathinasamy, Balakumar Chandrasekaran, Biosci., doi: 164 4.188 Mohammad F. Bayan, Ravikumar Sundaram, J 10.3389/fmolb.20 Jeyakanthan, Gurumallesh Prabu Halliah and Solomon 21.637122, 2021. King. In Silico Screening of Natural Phytoconstituents Towards Identification of Potential Lead Compounds to Treat COVID-19. Richard Mariadasse, Raji Rajmichael, Abhisek Dwivedy, Cell Signal. 2021; Mathimaran Amala, Mohammed Ahmad, Nachiappan 84:110031. 163 3.968 Mutharasappan, Bichitra K. Biswal and J Jeyakanthan. doi: Characterization of putative transcriptional regulator 10.1016/j.cellsig.2 (PH0140) and its distal homologue. 021.110031 Dhamodharan Prabhu, Sundaraj Rajamanikandan, Muthusamy Sureshan, Jeyaraman Jeyakanthan, Kadhirvel Saraboji. Modelling studies reveal the importance of the C- J Mol Graph Model., 162 2.079 terminal inter motif loop of NSP1 as a promising target site 2021 for drug discovery and screening of potential phytochemicals to combat SARS-CoV-2. Jayashree Biswal, Prajisha Jayaprakash, Suresh Kumar Rayala, Ganesh Venkatraman, Raghu Rangasamy, Saritha Comb Chem High 161 Poopandi and Jeyaraman Jeyakanthan. Water Mapping Throughput 1.195 and Scoring approaches to predict the role of Hydration Screen., 2021 sites in Binding Affinity of PAK1 inhibitors. Rajesh Kumar M, Daniel A. Gideon, Richard Mariadasse, Vijay Nirusimhan, Sherlin Rosita A, Jesu Castin Edward, J Biomol Struct 160 Jeyakanthan Jeyaraman & Violet Dhayabaran V. In silico 3.310 Dyn., 2021 evaluation of isatin-based derivatives with RNA-dependent RNA polymerase of the novel coronavirus SARS-CoV-2. Sundararaj Rajamanikandan, Soundarapandian Soundarya, Anandhi Paramasivam, Dhamodharan Prabhu, Jeyaraman J Biomol Struct 159 Jeyakanthan & Vidhyavathi Ramasamy. Computational 3.310 Dyn., 2021 identification of potential lead molecules targeting rho receptor of Neisseria gonorrhoeae. Balajee R, Venkatesan S, Tsz-Min C, Jeyakanthan J, Shyi- Long L. Atomistic simulation on flavonoids derivatives as J Biomol Struct 158 3.310 potential inhibitors of bacterial gyrase of Staphylococcus Dyn., 2020 aureus. Premnath. N, K. Mohanrasu, R. Guru Raj Rao, G.H. Dinesh, G. Siva Prakash, Arivalagan Pugazhendhi, J. Jeyakanthan, Environmental Muthusamy Govarthanan, Ponnuchamy Kumar, A. Arun. 157 Pollution, 116035, 6.792 Effect of C/N Substrates for enhanced Extracellular 2020. Polymeric Substances (EPS) Production and Poly Cyclic Aromatic Hydrocarbons (PAHs) degradation. Prajisha J, Biswal J, Jeyakanthan J. Discovery of potent J Biomol Struct 156 Camkk1 kinase inhibitors through e-pharmacophore and Dyn. 6Nov, 1-17, 3.310 molecular screening approaches. 2020 M Amala, M Richard, P Saritha, D Prabhu, M J Biomol Struct Veerapandiyan, K Surekha, J Jeyakanthan. Molecular 155 Dyn. 23Nov, 1-19, 3.310 evolution, binding site interpretation and functional 2020 divergence of aspartate semialdehyde dehydrogenase. J Joseph Sahayarayan, K Soundarrajan, M Nachiappan, D Prabhu, RGR Rao, J Jeyakanthan, AH Mahmoud, OB Saudi J Biol Sci. 16 154 2.802 Mohammed, AMA Morgan. Identification of potential drug Oct 2020 target in malarial disease using molecular docking analysis. Lokesh R, Jeyakanthan J, Kannabiran K. Targeting VEGFR2 protein by marine Streptomyces J Basic Microbiol. 153 1.909 globosusVITLGK011‐derived compound BECA: An in vitro 2020 and in silico analysis Sci Rep. 2020 Arul MN, Kumar S, Jeyakanthan J & Srivastav V. Searching 10(1):19125. for target-specific and multi-targeting organics for Covid- 152 doi: 3.998 19 in the Drugbank database with a double scoring 10.1038/s41598- approach. 020-75762-7 Murugan, NA, Muvva C, Jeyarajpandian, C, Jeyakanthan J, Int. J. Mol. Sci., 21, 151 4.556 Subramanian V. Performance of Force-Field- and Machine 7648, 2020 Learning-Based Scoring Functions in Ranking MAO-B Protein–Inhibitor Complexes in Relevance to Developing Parkinson’s Therapeutics. Int J Biol. Chaudhary SK, Elayappan M, Jeyakanthan J, Sekar K. Macromol., 150 Structural and functional characterization of oligomeric 5.162 163,943-953, states of proteins in RecFOR pathway. 2020. J Joseph Sahayarayan, K Soundarrajan, M Nachiappan, D Prabhu, RGR Rao, J Jeyakanthan, AH Mahmoud, OB Saudi J Biol Sci. 16 149 2.802 Mohammed, AMA Morgan. Identification of potential drug Oct 2020 target in malarial disease using molecular docking analysis. S Muthumanickam, T Indhumathi, P Boomi, R Balajee, J Jeyakanthan, K Anand, S Ravikumar, P Kumar, A Sudha & J Biomol Struct 148 Z Jiang. In silico approach of naringin as potent 3.310 Dyn. 09Oct, 2020 phosphatase and tensin homolog (PTEN) protein agonist against prostate cancer. Boomi P, Ganesan R, Prabu Poorani G, Jegatheeswaran S, Balakumar C, Gurumallesh Prabu H, Anand K, Marimuthu Int J Prabhu N, Jeyakanthan J, Saravanan M. Phyto-Engineered Nanomedicine. 147 5.115 Gold Nanoparticles (AuNPs) with Potential Antibacterial, 2020;15:7553- Antioxidant, and Wound Healing Activities Under in vitro 7568 and in vivo Conditions. Arul MN, Kumar S, Jeyakanthan J & Srivastav V. Searching for target-specific and multi-targeting organics for Covid- Research Square 146 - 19 in the Drugbank database with a double scoring Preprints, 06, 2020 approach. Prabhu D, Rajamanikandan S, Saritha P, Jeyakanthan J Biomol Struct J. Evolutionary Significance and Functional 145 Dyn. 38(15):4418- 3.310 Characterization of Streptomycin adenylyltransferase 4431, 2020. from Serratia marcescens R Vanajothi, H Vedagiri, J Jeyakanthan & K Premkumar. J Biomol Struct Ligand-based Pharmacophore Mapping and Virtual 144 Dyn. 38(9):2800- 3.310 Screening for Identification of Potential Discoidin Domain 2808, 2020. Receptor 1 Inhibitors. Chitra J, Rajendran SM, Jeba Mercy J & Jeyakanthan J. Indian J. Biochem. 143 Impact of COVID-19 lockdown in Tamil Nadu: Benefits and Biophys., 57, 370- 0.537 challenges on environment perspective. 381, 2020. Choubey SK, Nachiappan M, Richard M, Chitra JP, Jeyakanthan J. Structural and functional insights of Comput. Biol. 142 1.85 STAT2-NS5 interaction for the identification of NS5 Chem., antagonist - An approach for restoring interferon signaling. 88,107332,2020 Ahmed, M., Dwivedy, A., Mariadasse, R., Tiwari, S., Kar, D., Jeyakanthan, J., & Biswal, B. K. Prediction of Small ACS Omega. 5(29): 141 Molecule Inhibitors Targeting the Severe Acute 18356–18366, 2.879 Respiratory Syndrome Coronavirus‐2 RNA-dependent RNA 2020 Polymerase. Balajee R, Jeyakanthan J & Lopez BS. Molecular Docking, J Med Microbiol., Dynamics and Free Energy analyses of Acinetobacter 140 Aug;69(8):1062- 2.156 baumannii OXA class enzymes with carbapenems 1078, 2020 investigating their hydrolytic mechanisms. Arul Murugan N, Chitra JP & Jeyakanthan J. Computational J Biomol Struct Investigation on Andrographis paniculata Phytochemicals 139 Dyn., Jun 16;1-12, 3.310 to Evaluate Their Potency Against SARS-CoV-2 in 2020. Comparison to Known Antiviral Compounds in Drug Trials. Dwivedy, A., Mariadasse, R., Ahmad, M., Kar, D., Jeyakanthan, J., & Biswal, B. K. In silico characterization of OSF Preprints. 138 the NiRAN domain of RNA-dependent RNA polymerase - May, 04, 2020 provides insights into a potential therapeutic target against SARS-CoV2. D. Prabhu, S. Rajamanikandan, S. Baby Anusha, M. Sushma Biology Bulletin, Chowdary, M. Veerapandiyan & J. Jeyakanthan. In silico 137 47, 4, 319–331, 0.45 functional annotation and characterization of hypothetical 2020 proteins from Serratia marcescens FGI94 Surekha K, Prabhu D, Nachiappan M, Choubey SK, Prajisha J Biomol Struct J , Biswal J, Jeyakanthan J. Structural insights on binding 136 Dyn. May 5;1-14, 3.310 mechanism of CAD complexes (CPSase, ATCase and 2020. DHOase) Prabhu D, Amala M, Saritha P, Rajamanikandan S, BMC Infectious Veerapandiyan M, Jeyakanthan J. Functional Diseases, 20(Suppl 135 characterization of streptomycin adenylyltransferase from 2.688 1):324, ISSHID P- Serratia marcescens: An experimental approach to 31,20, 2020. understand the Antibiotic Resistance mechanism. Mohanrasu K, Rao RGR, Dinesh GH, Zhang K, SivaPrakash G, PoSong D, Muniyasamy S, Pugazhendhi A, Jeyakanthan Fuel, 271, 117522, 134 J & Arun A. Optimization of media components and culture 5.128 2020 conditions for polyhydroxyalkanoates production by Bacillus megaterium Rajamanikandan S, Nihar NM, Yogisharadhya R, Jeyakanthan J, Prajapati A, Chanda MM,Sathish BS. Comparative sequence, structure and functional analysis of Meta Gene, 24, Peer 133 Skp protein, a molecular chaperone among members of 100680, 2020 Reviewed Pasteurellaceae and its homologues in Gram-negative bacteria Santhosh R, Bankoti N, Gurudarshan M, Jeyakanthan J & J Appl. Cryst., 53, 132 Sekar K. IMRPS: Inserted and Modified Residues in Protein 3.161 2020. Structures: A Database. Nachiappan M, Jain V, Sharma A, Yogavel M & Jeyakanthan J Biomol Struct J. Conformational changes in Glutaminyl-tRNA synthetases 131 Dyn, 38(6):1575- 3.310 upon binding of the substrates and analogs using 1589, 2020. molecular docking and molecular dynamics approaches. Sudharsana S, Madhana Priya N, Prabhu D, Jeyakanthan J J Biomol Struct & Mohanapriya Arumugam. Conformational insights into 130 Dyn, 38(5):1398- 3.310 the inhibitory mechanism of phyto-compounds against SRC 1414, 2020. kinase family members implicated in psoriasis. Harshit N, Nirmaladevi P, Rajasree O, Jeyakanthan J & Arumugam M. Exploring genetic targets of psoriasis using 3 Biotech,. 10, 43 129 1.786 genome wide association studies (GWAS) for drug 2020 repurposing K. Langeswaran, Jeyakanthan J, Jegannath Babu R, Abir J Recept. Sig. Biswas & K. R. Dhurgadevi . Identifying dual leucine zipper 128 Transd., . Vol 1.629 kinase (DLK) inhibitors using e-pharamacophore screening 39:99-105, 2019. and molecular docking. Santhosh R, Bankoti N, Malgonnavar PA, Michael D, J Appl. Cryst., Vol 127 Jeyakanthan J & Sekar K. MRPC: Missing Regions in 52:1422-1426, 3.161 Polypeptide Chains - A Knowledgebase. 2019 Richard M, Choubey SK & Jeyakanthan J. Insights into J Chem Inf Model., 126 Exogenous Tryptophan-Mediated Allosteric 60(1) 175-191, 3.966 Communication and Helical Transition of TRP Protein for 2020 Transcription Regulation. Jeyakanthan J, Parimal P, Raju G & Rama SD. Technology IJHER, 9(2), 142- Peer 125 Enhanced Learning in Higher Education status and 150, 2020. Reviewed Strategies. S Vijayakumar, B Vaseeharan, R Sudhakaran, J Jeyakanthan, P Ramasamy, A Sonawane, A Padhi, P J Cluster Sci., 124 Velusamy, P Anbu, C Faggio. Bioinspired Zinc Oxide 30(6):1465-1479, 2.125 Nanoparticles Using Lycopersicon esculentum for 2019 Antimicrobial and Anticancer Applications. M Gowri, Jayashree Biswal, Jeyakanthan J, Girija EK. J Appl Micro., 123 Sertraline as a Promising Antifungal Agent: Inhibition of 128(2):426-437, 2.683 Growth and Biofilm of Candida auris with Special Focus on 2020 the Mechanism of Action In vitro. R Santhosh, P Chandrasekaran, D Michael, K Rangachari, N 122 Bankoti, J Jeyakanthan & K Sekar. ACMS: A database of J. Appl. Cryst., Vol 3.161 alternate conformations found in the atoms of main and 52:910-913. side chains of protein structures. P. Boomi, G. Poorani, S. Palanisamy, S. Selvam, G. Ramanathan, S. Ravikumar, H. Barabadi, H. Gurumallesh 121 Prabhu, J Jeyakanthan & M. Saravanan. Evaluation of J Cluster Sci, 30, 2.125 Antibacterial & Anticancer Potential of Polyaniline-Bimetal 715–726, 2019 Nanocomposite Synthesized from Chemical Reduction Method. Imran H, Manikandan PN, Prabhu D, Dharuman V, 120 Jeyakanthan J & Hahn JH. Ultra selective label free Sens Bio Res, 23, 2.32 electrochemical detection of cancer prognostic p53- 100261, 2019 antibody at DNA functionalized grapheme. Boomi P, Ganesan R.M, Poorani G, Gurumallesh Prabu H, Mat, Sci & Eng, 99; 119 Ravikumar S & J Jeyakanthan. Biological synergy of 5.08 greener god nanoparticles by using Coleus aromaticus leaf 202-210, 2019 extract. R. Santhosh, E. Velayudham, Daliah Michael, Namrata Bankoti, P. Chandrasekaran, D. Karthikeyan, S. Pavithra, M. RJLBPCS, Vol 5(2), 118 Gurusaran, K. P. R. Nisha, S.N. Satheesh, K. Rangachari, J 126-133, 2019 0.896 Jeyakanthan & K. Sekar. Diffraction precision index of macromolecular structures: A web based database. Prajisha J, Biswal J, Surekha K, Prabhu D, Gogoi P, Kanaujia J Recept Signal 117 SP & Jeyakanthan J. Design of novel PhMTNA inhibitors, Transduct, 39, 28- 1.775 targeting neurological disorder through Homology 38, 2019 Modeling, Molecular Docking & Dynamics approaches. Rao RGR, Biswal J, Sureka K & Jeyakanthan J. Exploration 116 J Comput Biol., 26, of N5-CAIR mutase Novel inhibitors from Pyrococcus 1.191 457-472, 2019 horikoshii OT3 – A Computational Study Biswal J, Prajisha J, Rayala SK, Ganesh V, Saritha P, Raghu R J Biomol Struct 115 & Jeyakanthan J. Identification of Pak1 inhibitors using Dyn, Jan 20:1-19, 3.310 water thermodynamic analysis. 2019. Chaudhary SK, Iyyappan Y, Elayappan M, Jeyakanthan J & Int J Biol 114 Sekar K. Insights into product release dynamics through Macromol, 123, 3.909 structural analyses of Thymidylate kinase. 637-647, 2019. Amala. M, Rajamanikandan. S, Prabhu. D, Surekha, K &J J Biomol Struct 113 Jeyakanthan. Identification of Anti-filarial leads against Dyn. 2018, 3.310 Aspartate semialdehyde Dehydrogenase of Wolbachia Vol. 37, 394-410, endosymbiont of Brugia malayi: Combined Molecular 2019 Docking and Molecular Dynamics Approaches. Nachiappan M, Jain V, Sharma A, Yogavel M & Jeyakanthan Int.J Bio 112 J. Structural and functional analysis of Glutaminyl-tRNA Macromol,120; 3.909 synthetase (TtGlnRS) from Thermus thermophilus HB8 and 1379-1386, 2018. its complexes. Sindhu T, Venkatesan T, Prabhu D, Jeyakanthan J, Gracy GR, Jalali SK & Rai A. Insecticide-resistance mechanism of ComputBiol Chem, 111 Plutella xylostella (L.) associated with amino acid 77; 240-250, 1.581 substitutions in acetylcholinesterase-1: A molecular 2018. docking and molecular dynamics investigation. Langeswaran K, J Jeyakanthan, Biswas A, Gowtham KS & Bioinformation Peer 110 Santhoshkumar S. Identification of potential inhibitors for 14(9): 471-476, Penicillin binding protein (PBP) from Staphylococcus Reviewed 2018. aureus. Boobalan T, Mohan Rasu K, Arumugam N, Saravanan S, Biodiversitas, 19 Peer 109 Jothi Basu M, J Jeyakanthan & Arun A. Studies on the (6), 2283-2293, diversity of macrofungus in Kodaikanal region of Western Reviewed 2018. Ghats, Tamil Nadu, India. Sanjay K Choubey & J Jeyakanthan. Molecular dynamics J. Recept. Signal 108 and Quantum chemistry based approaches to identify Transduct. Res., 1.775 isoform selective HDAC2 inhibitor – A novel target to 38(3):266-278, prevent Alzheimer’s disease. 2018 Langeswaran K, Jeyakanthan J, Mariadasse R & Saravanan Bioinformation Peer 107 S . Insights from the Molecular modeling, docking analysis 14(5): 219-231, of illicit drugs and Bomb Compounds with Honey Bee Reviewed 2018. Odorant Binding Proteins (OBPs), Sahana JJ, Srinivasan S, Vijeth TA, Tummala N, Santhosh R, Daliah M, Ahmed SZ, Nisha KPR, Jeyakanthan J & K. Sekar. 106 J ApplCrys, Vol 51, PlaneFinder: A methodology to find the best plane for a set 3.422 1251-1256, 2018. of atoms involved in the metal coordination in the protein structures. Santosh Kumar Chaudhary, J Jeyakanthan & Kanagaraj 105 Acta Cryst., D74, 2.114 Sekar. Structural and functional roles of dynamically 341-354, 2018. correlated residues in thymidylate kinase. P. Boomi, J. Anandha Raj, S. P. Palaniappan, G. Poorani, S. Selvam, H. Gurumallesh Prabu, P. Manisankar, J J Photochem 104 Jeyakanthan& V.K. Langeswaran. Improved conductivity Photobiol B. 178, 3.16 and antibacterial activity of poly(2-aminothiophenol)- 323–329, 2018. silver nanocomposite against human pathogens. M. Maniyazagan, R. Mariadasse, M. Nachiappan, J Jeyakanthan, N.K. Lokanath, S. Naveen, G. Sivaraman, P. Sens Actuator B: 103 Muthuraja, P. Manisankar& T. Stalin. Synthesis of Chemical, Vol. 254, 4.75 rhodamine based organic nanorods for efficient Pages 795-804, chemosensor probe for Al (III) ions and its biological 2018 applications. Singal, B., Balakrishna, A. M., Nartey, W., Manimekalai, M. S. 102 S., J Jeyakanthan & Grüber, G. Crystallographic and FEBS Lett, 591; 3.03 solution structure of the N-terminal domain of the Rel 2323-2337, 2017. protein from Mycobacterium tuberculosis. A Sudha, J Jeyakanthan & P Srinivasan. Green synthesis of Peer 101 ResEffiTech, 2017. silver nanoparticles using aerial extract and evaluation of Vol 3, 506-515 Reviewed their antioxidant, antibacterial and cytotoxic effects. 100 A Biswas, A Shukla, SK Chaudhary, S Rajendran, J FEBS, 284(15), 4.53 Jeyakanthan & K Sekar. Structural studies of a 2527-2544, 2017. hyperthermophilic Thymidylate Kinase enzyme reveal conformational sub-states along the reaction coordinate Choubey SK, Prabhu D, Nachiappan M, Biswal J & J J Biomol Struct Jeyakanthan. Molecular modeling, dynamics studies and 99 Dyn., density functional theory approaches to identify potential 2.30 35(15):3316- inhibitors of SIRT4 protein from Homo sapiens: a novel 3329, 2017. target for the treatment of type 2 diabetes. Ansuman Biswas, Arpit Shukla, R. S. K. Vijayan, J Jeyakanthan & K. Sekar. Crystal structures of an archaeal 98 J Struct Biol., Thymidylate kinase from Sulfolobus tokodaii provide 2.57 2017(In Press). insights into the role of a conserved active site Arginine residue. Rajamanikandan S, J Jeyakanthan & Pappu S. Binding J Biomol Struct 97 mode exploration of LuxR-thiazolidinedione analogues, e- Dyn., 35(4):897- 2.30 pharmacophore based virtual screening in the designing of 916, 2017. LuxR inhibitors and its biological evaluation. M. Maniyazagana, C. Rameshwaran, R. Mariadasse, Sens Actuators B JJeyakanthan & K. Premkumar, T. Stalin. Fluorescence 96 Chem., Vol 242, Sensor for Hg2+ and Fe3+ ions using 3,3′– 4.75 PP: 1227–1238, Dihydroxybenzidine:α–Cyclodextrin Supramolecular 2017. Complex: Characterization, in silico and Cell Imaging Study Biswal J, Nachiappan M, Prabhu D & Jeyakanthan J. Peer 95 Unraveling the importance of Multidrug Efflux Transporter RJMAS, Vol 1; protein from Thermus thermophilus HB8 - an in silico Issue 1, 2017. Reviewed approach. Prabhu D, Vidhyavathi R & Jeyakanthan J. Computational 94 Microb Pathog., identification of potent inhibitors for Streptomycin 3″- 1.88 103, 94-106, 2017. adenylyltransferase of Serratia marcescens. Rajamanikandan S, J Jeyakanthan & Srinivasan P. 93 Discovery of potent inhibitors targeting Vibrio harveyi Microb Pathog., 1.88 LuxR through shape and e-pharmacophore based virtual 103, 40-56, 2017. screening and its biological evaluation. Rajamanikandan S, J Jeyakanthan & Srinivasan P. Molecular Docking, Molecular Dynamics Simulations, Appl Biochem 92 Computational Screening to Design Quorum Sensing Biotechnol., 181, 1.60 Inhibitors Targeting LuxP of Vibrio harveyi and its 192-218, 2017 Biological Evaluation. M. Maniyazagan, R. Mariadasse, JJeyakanthan, N.K. Lokanath, S. Naveen, K. Premkumar, P. Muthuraja, P. Sens Actuators B 91 Manisankar & T. Stalin. Rhodamine based “turn–on” Chem., 238, 565- 4.75 molecular switch FRET–sensor for cadmium and sulfide 577, 2017. ions and live cell imaging study Surekha K, Nachiappan M, Prabhu D, Choubey SK, Biswal J 90 & Jeyakanthan J. Identification of potential inhibitors for J Mol Struct., 1127, 1.78 oncogenic target of Dihydroorotate dehydrogenase using 675-688, 2017 in silico approaches. D Sasikala, J Jeyakanthan & P Srinivasan. Structure-based 89 virtual screening and biological evaluation of LuxT J Mol Struct., 1127, 1.78 inhibitors for targeting quorum sensing through an in vitro 322-336, 2017. biofilm formation. Sanjay K. Choubey & J Jeyakanthan. A mechanistic 88 J Mol Graph Model., approach to explore novel HDAC1 inhibitor using 1.67 70, 54-69, 2016 pharmacophore modeling, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation study. SK Choubey, R Mariadasse, S Rajendran & J Jeyakanthan. Identification of novel histone deacetylase 1 inhibitors by 87 J Mol Struct., 1125, combined pharmacophore modeling, 3D-QSAR analysis, in 1.78 391-404, 2016 silico screening and Density Functional Theory (DFT) approaches. Sudha A, Jeyakanthan J & Srinivasan P. Protective effect of 86 5-hydroxy-3′,4′,7-trimethoxyflavone against inflammation Med Chem Res. 25, 1.43 induced by lipopolysaccharide in RAW 264.7 macrophage: 1754-1767, 2016. in vitro study and in silico validation. A Biswas, S Jasti, J Jeyakathan & K. Sekar. Role of sequence J Biomol Struct 85 evolution and conformational dynamics in the substrate Dyn., Jul 27:1-19 2.30 specificity and oligomerization mode of thymidylate 2016 kinases Guru Raj Rao R, Biswal J, Prabhu D, Sureka K&J J Biomol Struct 84 Jeyakanthan. Identification of Potential Inhibitors for Dyn., 34 (10), 2.30 AIRS from de novo purine biosynthesis pathway through 2199-213, 2016. Molecular modeling Studies - A Computational approach. S. Jagadeeshan, A. Subramanian, S. Tentu, S. Beesetti, M. Singhal, S. Raghavan, R. P. Surabhi, J. Mavuluri, H. Annals of Oncology Bhoopalan, J. Biswal, R. S. Pitani, S. Chidambaram, S. 83 - Advance Access, Sundaram, R. Malathi, J Jeyakanthan, A. S. Nair, G. 9.26 27(8):1546-56, Venkatraman& S. K. Rayala. p21 activated kinase 1 (Pak1) 2016. signaling influences therapeutic outcome in pancreatic cancer. R. Santhosh, S.N. Satheesh, M. Gurusaran, Daliah Michael, K. J ApplCrystallogr, 82 Sekar &J Jeyakanthan. NIMS: A database on Nucleobase 49, PP:1093-1098, 2.57 compounds and their Interactions in Macromolecular 2016. Structures. D Sasikala, J Jeyakanthan&P Srinivasan. Structural J Recept Signal 81 insights on identification of potential lead compounds Transduct, 36(5), 1.78 targeting WbpP in Vibrio vulnificus through structure- PP 515-30 2016. based approaches. Surekha K, Prabhu D, Richard M, Nachiappan M, Biswal J & Jeyakanthan J. Investigation of vital pathogenic target 80 Gene, 583(2). PP: orotate phosphoribosyltransferases (OPRTase) from 2.31 102-111. 2016. Thermus thermophilus HB8: Phylogenetic and molecular modeling approach Richard M, Biswal J, Prajisha J, Raj Rao G, Choubey SK , J Recept Signal 79 Santhosh R & Jeyakanthan J. Mechanical insights of Transduct, 36(3). 1.78 Oxythiamine compound as potent inhibitor for Human pp: 233-42. 2016. Transketolase like protein 1. Gowri M, Beaula WS, Biswal J, Prabhu D, Saiharish R, Rohanprasad S, Pitani R, Kandaswamy D, Raghunathan R, J Jeyakanthan, Rayala SK& Ganesh V. β-lactam substituted Biochim Biophys 78 polycyclic fused pyrrolidine/pyrrolizidine derivatives Acta. 1860(4). pp: 5.08 eradicate C. albicans in an ex vivo human dentinal tubule 636-647. 2016. model by inhibiting sterol 14-α demethylase and cAMP pathway. Gogoi, P, Srivastava, A, Jayaprakash, P, J Jeyakanthan& 77 Kanaujia,S.P. In silico analysis suggests that PH0702 and Gene, 575, pp: 2.31 PH0208 encode for methylthioribose-1-phosphate 118-126, 2016. isomerase and ribose-1,5-bisphosphate isomerase, respectively, rather than aIF2Bβ and aIF2Bδ. Ravi M, Tentu S, Baskar G, Rohan Prasad S, Raghavan S, 76 Jayaprakash P, J Jeyakanthan, Rayala SK& Venkatraman G. BMC Cancer, 15(1) 3.26 Molecular mechanism of anti-cancer activity of PP: 768. 2015. phycocyanin in triple-negative breast cancer cells Meiyazhagan G, Raju R, Winfred SB, Mannivanan B, Bhoopalan H, Shankar V, Sathiya S, Deepa Parvathi V, PLoS ONE, 2015. Ravishankar P, Venkatesh babu N, Malini T, Kandaswamy 75 10(7): e0131433. D, J Jeyakanthan, Raghunathan R& Ganesh V. Bioactivity 3.05 doi:10.1371/journ Studies of β-Lactam Derived Polycyclic Fused Pyrroli- al.pone.0131433. Dine/Pyrrolizidine Derivatives in Dentistry: In Vitro, In Vivo and In Silico Studies. K. Manjunath, J Jeyakanthan& K. Sekar. Catalytic Pathway, J Structural 74 substrate binding and stability in SAICAR synthetase: A Biology, 191(1) 2.57 Structure and Molecular dynamics study PP: 22-31, 2015. Seenivasan K Devi, Vishnu Priyanka R Chichili, J Jeyakanthan, D. Velmurugan& J. Sivaraman. Structural Journal of Struct 73 basis for the hydrolysis of ATP by a nucleotide binding Biol, 190(3) PP: 2.57 subunit of an amino acid ABC transporter from Thermus 367-72, 2015. thermophilus. Surekha K, Nachiappan M, Prabhu D, Muthukumaran J, Krishna R&J Jeyakanthan. Exploring the structural 72 features of Aspartate Trans Carbamoylase (TtATCase) JBSD, 32(4), PP: 2.91 from Thermus thermophilus HB8 through in silico 591-601, 2014 approaches: A potential drug target for inborn error of pyrimidine metabolism L. Karthik, M. Nachiappan, D. Velmurugan, J Jeyakanthan&K. Gunasekaran. Crystal structure analysis J. Struct. Funct. Peer 71 of L-fuculose-1-phosphate aldolase from Thermus Genomics, 14(2) Reviewed thermophilus HB8 and its catalytic action: as explained PP:59-70, 2013 through in silico T. Balakrishnan, K. Ramamurthi, J Jeyakanthan& S. 70 Acta Cryst. E69, 0.347 Thamotharan. catena-Poly[[[aqua(glycine-κO)lithium]-µ- m60–m61, 2013. glycine-κ2O:O′] bromide] Santosh Kumar Chaudhary, J Jeyakanthan&K.Sekar. Acta Cryst. F69, 69 Cloning, expression, purification, crystallization and PP: 118-121, 0.56 preliminary X-ray crystallographic study of thymidylate 2013. kinase(TTHA1607) from Thermus thermophillus HB8 Kavyashree M, Kanaujia SP, Surekha K, Jeyakanthan J & Int J Biol 68 Sekar K. Structure of SAICAR synthetase from Pyrococcus Macromol., 53, 3.09 horikoshii OT3:Insights into thermal stability pp:7-19, 2013. M. Uthayakumar, B. Benazir, Sanjeev Patra, M. Kirti Peer 67 Vaishnavi, M. Gurusaran, K. Sureka, J Jeyakanthan& K. GPB.10(4), pp: Sekar. Homopeptide Repeats: Implications in protein 217-225, 2012. Reviewed structure, function and evolution. A Grover, SP Katiyar, J Jeyakanthan, VK Dubey & D 66 JBSD., 30(4), pp: 4.986 Sundar. Mechanistic insights into the dual inhibition 439–452, 2012. strategy for checking Leishmaniasis Bioorganic & Med Saranya N, J Jeyakanthan&Selvaraj S. Impact of protein 65 Chem Lett, 22(24) binding cavity volume (PCV) and ligand volume (LV) in 2.33 pp: 7593-7597, rigid and flexible docking of Protein-ligand complexes 2012. 64 Grover, A, Katiyar, S.P, J Jeyakanthan, Dubey& Sundar D. BMC Genomics, 4.39 Blocking Protein Kinase C signaling pathway: mechanistic 13(7): S20, 2012. insights into the anti-leishmanial activity of prospective herbal drugs from Withania somnifera Anita R. Chacko, J Jeyakanthan, G. Ueno, K. Sekar, C. Durga Acta Cryst. Section 63 Rao, Eleanor J. Dodson, Kaza Suguna & Randy J. Read. A D, D68, pp: 57–61, 14.103 new pentameric structure of rotavirus NSP4 revealed by 2012. molecular replacement Kh. Dhanachandra Singh, Palani Kirubakaran, Shanthi Nagarajan, Sugunadevi Sakkiah, Karthikeyan Muthusamy, Journal of Mol 62 D.Velmurgan&J Jeyakanthan. Homology Modeling, Model, 18(1), pp: 1.984 Molecular Dynamics, e-Pharmacophore mapping and 39-51, 2012. Docking Study of Chikungunya Virus nsP2 Protease. Srinivasan P, Prasanth Kumar S, Karthikeyan M, J Jeyakanthan, Jasrai YT, Pandya HA, Rawal RM & Patel SK. Peer 61 Epitope-based immunoinformatics and molecular docking Front Genet, Vol. 2, studies of Nucleocapsid protein (NP) and Ovarian Tumor pp: 2-9, 2011. Reviewed (OTU) domain of Crimean-Congo haemorrhagic fever virus (CCHFV). Kojiro Mimura, Shinya Hosokawa, Naohisa Happo, Wen Hu, e-J. Surf. Sci. Kouichi Hayashi, Kazuki Wakita, Hirofumi Ishii, Masato Peer 60 Nanotech. Vol. 9, Yoshimura, J Jeyakanthan and Nazim Mamedov. Three pp: 273-276, Reviewed Dimensional Atomic Image of TlInSe2 by X-ray 2011. Fluorescence Holography J. Muthukumaran, P. Manivel, M. Kannan, J Jeyakanthan& R. Krishna. Advancement in computational analysis J Comput Biol Peer 59 methods of plant antifreeze proteins (AFPs): An Bioinform Res., application towards classification and gene expression 3(6), pp: 63-82, Reviewed studies of leucine rich repeat (LRR) and ice- 2011. recrystallization inhibition domain (IRI) containing AFPs. Anita R.Chacko, Mohammed Arifullah, Narayan P. Sastri, J Jeyakanthan, Go Ueno, Kanagaraj Sekar, Randy J. Read, J Virol., 85(23), pp: 58 Eleanor J. Dodson, Durga C. Rao & Kaza Suguna.A Novel 12721-12732, 5.402 Pentameric Structure of the Diarrhea-inducing Region of 2011. the Rotavirus Enterotoxigenic Protein NSP4. Journal of J. Muthukumaran, P. Manivel, M. Kannan, J Jeyakanthan& Bioinformatics and Peer 57 R. Krishna. A framework for classification of antifreeze Sequence Analysis proteins in over wintering plants based on their sequence Reviewed Vol. 3(4), pp: 70- and structural features. 88, 2011. J. Muthukumaran, M. Nachiappan, S. Chitra, S. Muthusubramanian, Suman Bhattacharya, P. Manisankar, Acta Cryst. E67, 56 R. Krishna &J Jeyakanthan. 1-(2-napthyl)-3-phenyl-3- pp: o2010-o2011, 0.34 (4,5,6,7-tetrahydro-1,2,3-benzoselenadiazol-4-yl)-propan- 2011. 1-one J. Muthukumaran, M. Nishandhini, S. Chitra, P. Manisankar, Acta Cryst.,E67, 55 S. Bhattacharya, S. Muthusubramanian, R. Krishna &J o1660-o1661, 0.34 Jeyakanthan.3-(4-Methylphenyl)-1-phenyl-3-(4,5,6,7- 2011. tetrahydro-1,2,3-benzoselenadiazol-4-yl)-1-propan-1-one. Shinya Hosokawa, Naohisa Happo, Kouichi Hayashi, Kojiro Mimura, Kazuki Wakita, Wen Hu, Hirofumi Ishii, Masato Jpn. J. Appl. Phys. 54 Yoshimura, J Jeyakanthan, & Nazim Mamedov. Three- 50, pp: 05FC06, 1.24 Dimensional Atomic Images of TlInSe2 Thermoelectric 2011 Material Obtained by X-ray Fluorescence Holography. 53 J. Muthukumaran, M. Nishandhini, S. Chitra, S. Acta Cryst. E67, 0.34 Muthusubramanian, P. Manisankar, S. Bhattacharya, R. pp: o1421-o1422, Krishna &J Jeyakanthan. 4-{(4-Chlorophenyl)[4-(4- 2011. methylphenyl)-1,2,3-selenadiazol-5-yl]methyl}-4,5,6,7- tetrahydro-1,2,3-benzoselenadiazole. Manimekalai MSS, Kumar A, Jeyakanthan J & Grüber G. 52 J.Mol.Biol.V408, Insights into the chemical mechanism of the transition like 4.00 736-754, 2011. state of the biological engine A-ATP synthase. Kanaujia SP, Jeyakanthan J, Shinkai A, Seiki K, Yokoyama S 51 & Sekar K. Crystal structures, dynamics and functional Acta Cryst. F67, 2- 0.50 implications of molybdenum cofactor biosynthesis protein 16, 2011. MogA from two thermophilic organisms. Kanaujia SP, J Jeyakanthan, Nakagawa N, Balasubramaniam S, Shinkai A, Kuramitsu S, Yokoyama S& 50 Acta Cryst. D66, Sekar K. Structures of apo and GTP-bound molybdenum 6.326 821-33, 2010. cofactor biosynthesis protein MoaC from Thermus thermophilus HB8. Kumar A, Manimekalai MS, Balakrishna AM, Priya R, Biuković G, J Jeyakanthan&Grüber G. The Critical Roles of J. Mol. Biol. Vol 49 Residues P235 and F236 of Subunit A of the Motor Protein 492, PP: 892-905, 4.008 A-ATP Synthase in P-Loop Formation and Nucleotide 2010. Binding. Balakrishna AM, Manimekalai MSS, Hunke C, Ga S, Roessle J Bioenerg M, Jeyakanthan J & Gruber G. Crystal and solution 48 Biomembr. Vol 42, structure of the C-terminal part of the Methanocaldococcus 3.637 PP: 311-320, jannaschii A1AO ATP synthase subunit E revealed by X-ray 2010. diffraction and small-angle X-ray scattering. J Jeyakanthan, Kanaujia SP, Nishida Y, Nakagawa N, 47 Praveen S, Shinkai A, Kuramitsu S, Yokoyama S &Sekar K. Acta. Cryst. D66, 6.326 Free and ATP-bound structures of Ap4A hydrolase from PP: 116-24, 2010. Aquifex aeolicus V5. Alikhajeh J, Khajeh K, Ranjbar B, Naderi-Manesh H, Lin YH, Liu E, Guan HH, Hsieh YC, Chuankhayan P, Huang YC, J Acta. Cryst. F66, 46 Jeyakanthan, Liu MY&, Chen CJ. Structure of Bacillus PP: 121-129, 0.563 amyloliquefaciens α-amylase at high resolution: 2010. implications for thermal stability. J Jeyakanthan, Randy M. Drevland, D. Gayathri, D. Biochemistry. 30; Velmurugan, S. Kuramitsu, A. Shinkai, Shigeyuki Yokoyama 45 Vol 49, Issue 12, 3.226 & David E. Graham. Substrate specificity determinants of PP: 2687-2696, the methanogen homoaconitase enzyme: structure and 2010. function of small subunit residues. Grüber A, Manimekalai MSS, Balakrishna AM, Hunke C, Jeyakanthan J, Preiser PR & Grüber G. The first structural 44 PLoS, V5, 2, e9146, and mechanistic determination of functional units of the 4.411 2010. nucleotide binding domain (NDB94) of the reticulocyte binding protein Py235 of Plasmodium yoelii. Vikas Gupta, N. A. Udayaprakash, V. Lakshmi, R. Boopathy, J Int. J. Biological 43 Jeyakanthan&D.Velmurugan and K. Sekar. Recognition of Macromolecules, 2.502 active and in-active catalytic triads: A template based V46, Vol 3, PP: approach 317-323, 2010. J Jeyakanthan, S Thamotharan, S Panjikar, Y Kitamura, N Acta Cryst. F66, 42 Noriko, A Shinkai, S Kuramitsu & S Yokoyama. Expression, PP: 184-186, 0.563 purification and X-ray analysis of 1, 3-Propanediol 2010. Dehydrogenase (Aq_1145) from Aquifex aeolicus VF5. 41 Kavyashree M, Jeyakanthan J, Nakagawa N, Akeo S, Acta Cryst. F66, 0.563 Masato Y, Seiki K, Shigeyuki Y & Sekar K. Cloning, PP: 180-183, expression, purification, crystallization and preliminary X- 2010. ray crystallographic study of putative SAICAR synthetase (PH0239) from Pyrococcus horikoshii OT3 Kumar A, Manimekalai MSS, Balakrishna AM, Jeyakanthan J. Mol.Biol. Vol 396, 40 J & Grüber G. Nucleotide-binding states of subunit A of the PP: 301-320, 4.008 A-ATP synthase and the implication of P-loop switch in 2010. evolution. K. Hemavathi, M. Kalaivani, A. Udayakumar, G. Sowmiya, J JAppl cryst. Vol 43, 39 Jeyakanthan& K.Sekar. MIPS: Metal Interactions in PP: 196-199, 3.794 Protein Structures. 2010. Guan HH, Goh HS, Davamani F, Wu PL, Huang YW, Jeyakanthan J, Wu W & Chen CJ. Structures of two elapid J. Struct. Biol. Vol 38 snake venom metalloproteases with distinct activities 169, PP: 294-303, 3.497 highlight the disulfide patterns in the D domain of 2010. ADAMalysin family proteins. J Jeyakanthan, K Takada, M Sawano, K Ogasahara, Peer 37 HMizutani, N Kunishima, S Yokoyama & K Yutani. Crystal J. Biophysics. PP: 1- Structural and functional analysis of the Putative 12, 2009. Reviewed Dipeptidase from Pyrococcus horikoshii OT3. J Jeyakanthan, K Takada, M Sawano, K Ogasahara, H Mizutani, N Kunishima, S Yokoyama & K Yutani. Crystal J. Bacteriol, Vol 36 Structure of Adenylylsulfate Reductase from Desulfovibrio 191, Issue 24, PP: 3.726 gigas suggests a Potential Self-regulation Mechanism 7597-7608, 2009. Involving the C-terminus of the β-subunit. J Jeyakanthan, S Thamotharan, D Velmurugan, VSN Rao, S Nagarajan, A Shinkai, S Kuramitsu & S Yokoyama. New Structural Insights and Molecular Modeling Studies of 4- Acta Cryst. F65, 35 Methyl-5-hydroxyethylthiazole Kinase from Pyrococcus PP: 978-986, 0.551 horikoshii OT3 (PhThiK). Acta Cryst. F65, pp: 978-986, 2009. 2009.New Structural Insights and Molecular Modeling Studies of 4-Methyl-5-hydroxyethylthiazole Kinase from Pyrococcus horikoshii OT3 (PhThiK). Jey-Jau Lee, S. Thamotharan, J Jeyakanthan, R. Bansal & R. 34 Acta Cryst A65, Yadav. Structure determination on Asthmatic Drugs by 49.93 S324, 2009. synchrotron powder diffraction, L. -C. Chen, S. -C. Huang, P. Chuankhayan, C. -D. Chen, Y. -C. Huang, J Jeyakanthan, H.-F. Pang, L.-C. Men, Y.-C. Chen, Y.- 33 Acta Cryst. F65, K. Wang, M.-Y. Liu, T.-K. Wu & C.-J. Chen. Purification, 0.551 PP: 419-42, 2009. crystallization and preliminary X-ray crystallographic analysis of xylose reductase from Candida tropicalis. J Jeyakanthan, M Yoshimurura, Go U, Yu-Shan H, Chi-Yi H, 32 Masaki Y, Ku-Ding T & H Ishii. Installation of High Acta Cryst. A61, 2.051 Throughput Protein Crystallography Data Collection at C173-174, 2008. SPring-8 BL12B2. J Jeyakanthan, S Rangarajan, P Mirdula, Y Shiro, K Seiki,S Acta. Cryst. D64, 31 Yokoyama & K Sekar. Observation of a calcium-binding site PP: 1012-1019, 2.943 in the class Carbonic anhydrases from Pyrococcus 2008. horikoshii. Hideaki H, Mal TK, Walchli M, Kikuchi A, Fukanao T, Ando 30 R, Jeyakanthan J, Shio JTY, Iku M & Miyawaki A. Light- PNAS. Vol 105, PP: 9.380 dependent regulation of structural flexibllity in a 9227-9232, 2008. photochromic fluorescent protein. 29 Sarani R, J Jeyakanthan, Mridula P, Keiko S, Yoshiaki K, Acta. Cryst. F64, 0.606 Agari Y, Akeo S, Akio E, Seiki K, Shigeyuki Y&Sekar K. PP: 102-104, Crystallization and preliminary crystallographic studies of 2008. L30e, a ribosomal protein from Methanocaldococcus jannaschii (MJ1044). Shankar BAG, Sarani R, Michael D, Mridula P, Ranjani V, J. Biosci. Vol 32, 28 Sowmiya G, Vasundhar B, Sudha P, J Jeyakanthan, PP: 693–704, 2.064 Velmurugan D &Sekar K. Ion pairs in non-redundant 2007. protein structures. Kanaujia SP, Ranjani CV, Jeyakanthan J, Nishida M, Kitamura Y, Baba S, Akio E, Shimizu N, Nakagawa N, Acta. Cryst. F63, 27 Shinkai A, Yamamoto M, Seki K, Shiro Y, Sekar K, Yokoyama PP: 450-453, 0.568 S. Preliminary X-ray crystallographic study of glucose 2006. dehydrogenase from Thermus thermophilus HB8. Kanaujia SP, Ranjani CV, Jeyakanthan J, Baba S, Chen L, Liu ZJ, Wang B, Nishida M, Akio E, Akeo S, Seiki K, Shiro Y, 26 Acta Cryst. F63, Sekar K & Shigeyuki Y. Crystallization and preliminary 0.568 PP: 27-29, 2006. crystallographic analysis of Molybdenum cofactor biosynthesis protein C from Thermus thermophilus. Kanaujia SP, Ranjani CV, Jeyakanthan J, Baba S, Akio E, Akeo S, Seiki K, Shiro Y, Sekar K & Yokoyama S. Cloning, Acta. Cryst. F63, 25 expression, purification, crystallization and preliminary X- PP: 103-105, 0.568 ray crystallographic Study of DHNA synthetase from 2006. Geobacillus kaustophilus. Kanaujia SP, Ranjani CV, Jeyakanthan J, Miwa O, Agari K, Yoshiaki K, Baba S, Akio E, Akeo S, Seiki K, Shiro Y, Sekar K Acta. Cryst. F63, 24 & Yokoyama S. Cloning, expression, purification, 0.568 PP: 324-326, crystallization and preliminary X-ray crystallographic 2006. study of molybdopterin synthase from Thermus thermophilus HB8. K. Sekar, D. Gayathri, D.Velmurugan, J Jeyakanthan, T. Acta. Cryst. D62, 23 Yamane, M.-J. Poi & M.-D. Tsai. Third calcium ion found in PP: 392-397, 1.687 an inhibitor-bound phospholipase A2. 2006. J Jeyakanthan, Eiji Inagaki, Chizu Kuroishi & Tahir H. Acta Cryst. F61, 22 0.568 Tahirov. Structure of PIN-domain protein PH0500 from PP: 463-468, Pyrococcus horikoshii OT3. 2005. Taka J, Ogasahara K, J Jeyakanthan, Kunishima N, Kuroishi C, Sugahara M, Yokoyama S & Yutani K. Stabilization due to Peer 21 J. Biochem. PP: dimer formation of phosphoribosyl anthranilate isomerase 569-578, 2005. Reviewed from Thermus thermophilus HB8: X-ray Analysis and DSC experiments. J Jeyakanthan, Junichiro Taka, Akihiro Kikuchi, Chizu Kuroishi, Katsuhide Yutani & Yoshitugu Shiro. Purification, Acta. Cryst. F61, 20 0.568 crystallization and preliminary X-ray crystallographic PP: 1075-1077, study of the L-fuculose-1-phosphate aldolase (FucA) from 2005. Thermus thermophilus HB8. J Jeyakanthan, A. Kikuchi, J. Taka, S. Karasawa, A. 19 Acta. Cryst. A61, Miyawaki & Y. Shiro. Crystal structure of novel cyan- 1.791 C263, 2005. emitting fluorescent protein from Acropara stony coral. K. Saikrishnan, G. P. Manjunath, P. Singh, J Jeyakanthan, Z. Dauter, K. Sekar, K. Muniyappa & M. Vijayan. Structure of Acta. Cryst. D61, 18 Mycobacterium smegmatis single-stranded DNA-binding PP: 1140-1148, 1.401 protein and a comparative study involving homologus 2005. SSBs: biological implications of structural plasticity and variability in quaternary association. K. Saikrishnan, J Jeyakanthan, J. Venkatesh, N. Acharya, K. Purnapatre, K. Sekar, U.Varshney & M. Vijayan. Structure of 17 J. Mol. Biol. PP: Mycobacterium tuberculosis single-stranded DNA-binding 4.472 385-393, 2003. protein. Variability in Quaternary Structure and its Implications. V. Rajakannan, M. Yogavel, Ming-Jye Poi, A. Jeya Prakash, J Jeyakanthan, D.Velmurugan, Ming-Daw Tsai & K. Sekar. 16 J. Mol. Biol. PP: Observation of Additional Calcium Ion in the Crystal 4.472 755-762, 2002. Structure of the Triple Mutant of Bovine Pancreatic Phospholipase A2. A.S.Z. Hussain, V.Shanthi, S.S.Sheik, J Jeyakanthan, Acta Cryst. D58, 15 P.Selvarani & K. Sekar. PDB Goodies – a Web-based GUI to PP: 1385-1386, 1.760 manipulate the Protein DATA Bank File. 2002. M. Vijayan, J Jeyakanthan, J. Venkatesh, N. Acharya, K. 14 Sekar, U. Varshney & K.Saikrishnan. The Crystal structure Acta Cryst. A58, 1.417 of the single-stranded DNA-binding protein from C275, 2002. Mycobacterium tuberculosis. K. Saikrishnan, J Jeyakanthan, J. Venkatesh, N. Acharya, K. Purnapatre, K. Sekar, U.Varshney & M. Vijayan. 13 Acta Cryst. D58, Crystallization and preliminary X-ray studies of the single- 1.760 327-329, 2002. stranded DNA-binding protein from Mycobacterium tuberculosis. M. Kanthimathi, D. Sebanesan, B.U. Nair &J Jeyakanthan. Transit Metal 12 Effect of molecular association and reactivity on Chem, V27, PP: 0.838 substitution in chromium (III)-salprn Complexes, 895-901, 2002. Crys Res Tech, Vol 11 J Jeyakanthan, M. Yogavel T. J. Rajan, D. Velmurugan & K. 37, PP: 1029- 0.768 Sekar. Crystal and molecular structure of an acridinedione 1037, 2002. J Jeyakanthan, D.Velmurugan, R. Selvi & P.T.Perumal. 1- Acta. Cryst. E57, Peer 10 (2,4-dinitrophenyl)-3-(2-hydroxy-5- PP: 474- 476, Reviewed methylphenyl)pyrazole-4-carboxaldehyde. 2001. Mookandi Kanthimathi, Balachandran Unni Nair and Thirumalachari Ramasami, J Jeyakanthan& Devadasan Transit Metal 9 0.561 Velmurugan. Synthesis, Crystal Structure and Reactivity of Chem. Vol 25, pp: trans-diaquo N, N’-ethylenebis (3- 145-149, 2000. methoxysalicylicdieneiminato) chromium (III) J Jeyakanthan, S. Shanmuga Sundara Raj, D.Velmurugan, H.K.Fun, T.Joseph Rajan & V.T.Ramakrishnan. 10- Acta. Cryst. C56, 8 (benzoylamino)-3,4,6,7,9,10-hexahydro-1,8-(2H,5H)- PP: 1109-1112, 0.719 acridinedione and 10-(4-methylbenzoylamino)- 1999. 3,4,6,7,9,10-hexahydro-1,8-(2H,5H)- acridinedione J Jeyakanthan, D.Velmurugan, R.Selvi & P.T.Perumal. 1-(2, Acta. Cryst. C55, 7 4-dinitrophenyl)-3-(2-hydroxyphenyl)-4-methyl-1H- PP: 1926-1928, 0.581 pyrazole 1999. S. Shanmuga Sundara Raj, J Jeyakanthan, D. Velmurugan, Acta. Cryst. C55, 6 H. K. Fun, R. Selvi & P. T. Perumal. 1-(2, 4-dinitrophenyl)-3- PP: 1667-1669, 0.581 (2-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde. 1999. J Jeyakanthan& D.Velmurugan. The Crystals and Crys ResTech, 5 Molecular Structures of 1,8- Dioxo-9-(O-nitrophenyl)- Vol34, PP: 1339, 0.768 1,2,3,4,5,6,7,8-octahydroxanthene. 1999. 4 J Jeyakanthan, S. Shanmuga Sundara Raj, D.Velmurugan, Acta Cryst. C55, 0.719 H. K.Fun & P. Murugan. Two tetramethylxanthenediones. 1995. 3 J Jeyakanthan, D.Velmurugan, K. Panneerselvam, Manuel Acta. Cryst. C54, 0.719 Soriano-Garcia, S.Perumal & R.Chandrasekaran. Three PP: 630-633, Diphenyl Sulfones. 1998. Acta. Cryst. C53, 2 J Jeyakanthan& D. Velmurugan. 4-Chlorophyenyl 2, 6- PP: 1344-1345, 0.719 DimethylphenylSulfone. 1997. J Jeyakanthan, R. Saravanan & S.K. Mohanlal. Temperature Physica Status 1 Dependence of Core and Valence Thermal Vibrations in Solidi (b), Vol 190, 0.583 Germanium pp:415, 1995

CONTRIBUTION IN BOOK/ CHAPTERS – 06

S. No Particulars Publisher and Year Today & Tomorrows P. Shanmugavel & J. Jeyakanthan. Molecular Interactions 1. Printers and (ISBN: 8170195116) Publishers, 2015 Nachiappan M, Guru R Rao, Richard M, Saritha P, Amala M, Prabhu D, Rajamanikandan S, Chitra JP & Jeyakanthan J. Experimental 2. and Computational Methods to Determine Protein Structure and Springer, 2020 Stability. Frontiers in Protein Structure, Function, and Dynamics (ISBN 978-981-15-5529-9) Pages: 23 - 55. Jayashree B, Prajisha J, Raghu R & Jeyakanthan J. Synergistic Effects of Hydration Sites in Protein Stability: A Theoretical Water 3. Thermodynamics Approach. Frontiers in Protein Structure, Springer, 2020 Function, and Dynamics. (ISBN 978-981-15-5529-9) Pages: 187 – 212. Balajee R, Saravanan M, Jeyakanthan J. Prospects of Covalent 4. Scrivener, 2020 approaches in Drug Discovery: An Overview.

Mutharasappan Nachiappan, Ravi Guru Raj Rao, Mariadasse Richard, Dhamodharan Prabhu, Sundarraj Rajamanikandan, Jeyaraj Pandian Chitra and Jeyaraman Jeyakanthan. 3D 5. Elsevier, 2020 Structural Determination of Macromolecules using X-ray Crystallography Methods. Molecular Docking for Computer-Aided Drug Design.

K. Mohanrasu, R. Guru Raj Rao, M. Sudhakar, Rathinam Raja, J. 6. Jeyakanthan, A. Arun. Marine Microbial Pharmacognosy: Springer Nature, Prospects and Perspectives. Marine Niche: Applications in 2020 Pharmaceutical Sciences

GENBANK DEPOSITIONS – 23

S. No Accession No. Details Staphylococcus aureus strain U190175 16S ribosomal RNA gene, partial 1. MN749550.1 sequence Staphylococcus aureus strain U190172 16S ribosomal RNA gene, partial 2. MN749549.1 sequence Shewanella putrefaciens strain B190208 16S ribosomal RNA gene, partial 3. MN749548.1 sequence 4. MN749541.1 Proteus vulgaris strain P190036 16S ribosomal RNA gene, partial sequence

Staphylococcus aureus strain P190067 16S ribosomal RNA gene, partial 5. MN749537.1 sequence Staphylococcus aureus strain O190017 16S ribosomal RNA gene, partial 6. MN749534.1 sequence Enterococcus faecalis strain P190052 16S ribosomal RNA gene, partial 7. MN749533.1 sequence Enterococcus faecalis strain P190052 16S ribosomal RNA gene, partial 8. MN749520.1 sequence Acinetobacter baumannii strain O190037 16S ribosomal RNA gene, partial 9. MN749519.1 sequence

10. MN744697.1 Morganella morganii strain ab1 16S ribosomal RNA gene, partial sequence

Citrobacter freundii strain U190042 16S ribosomal RNA gene, partial 11. MN749522.1 sequence Impatiens leschenaultii voucher ALUH_18 maturase K (matK) gene, partial 12. MK820067.1 cds; chloroplast Impatiens leschenaultii voucher ALUH_18 ribulose-1,5-bisphosphate 13. MK820068.1 carboxylase/oxygenase large subunit (rbcL) gene, partial cds; chloroplast Drosera indica voucher ALUH_17 ribulose-1,5-bisphosphate 14. MK759659.1 carboxylase/oxygenase large subunit gene, partial cds; chloroplast Drosera burmannii voucher ALUH_16 ribulose-1,5-bisphosphate 15. MK759658.1 carboxylase/oxygenase large subunit gene, partial cds; chloroplast

16. MT262990.1 Shigella sonnei strain O190087 16S ribosomal RNA gene, partial sequence

Mycolicibacterium senegalense strain P190172 16S ribosomal RNA gene, 17. MT262927.1 partial sequence

18. MT261888.1 Klebsiella sp. strain P190051 16S ribosomal RNA gene, partial sequence

Enterococcus faecalis strain P190052 16S ribosomal RNA gene, partial 19. MT261871.1 sequence Coprinus sterquilinus isolate JJAA3 internal transcribed spacer 1, partial 20. KX022944.1 sequence; 5.8S ribosomal RNA gene and internal transcribed spacer 2, complete sequence; and 28S ribosomal RNA gene, partial sequence

Psathyrella candolleana isolate JJAA2 internal transcribed spacer 1, partial 21. KX022943.1 sequence; 5.8S ribosomal RNA gene and internal transcribed spacer 2, complete sequence; and 28S ribosomal RNA gene, partial sequence

Psathyrella candolleana isolate JJAA1 internal transcribed spacer 1, partial 22. KX022942.1 sequence; 5.8S ribosomal RNA gene and internal transcribed spacer 2, complete sequence; and 28S ribosomal RNA gene, partial sequence

Candida tropicalis NAD(P)H-dependent xylose reductase (xyl1) gene, 23. FJ804147.1 complete cds

PROTEIN DATA BANK CONTRIBUTIONS (PDB’s)

More than 153 structures Protein Data Bank ID: 5ZDK, 5ZDL, 5ZDH………..etc., (http://www.rcsb.org/pdb/home/home.do)

IJBIOMAC, 2020 IJBIOMAC, 2019 Acta D, 2018 FEBS Lett, 2017 PDB ID - 5ZWU PDB ID - 5ZDO PDB ID - 5XT8 PDB ID - 4S35

FEBS J, 2017 J. Str. Bio, 2017 J. Str. Bio, 2015 J. Str. Bio, 2015 PDB ID - 2PBR PDB ID - 2PLR PDB ID - 4O7N PDB ID - 4UOO

IJBIOMAC, 2013 Acta D, 2012 Acta F, 2011 JMB 2011 PDB ID - 3U54 PDB ID - 3MIW PDB ID - 3MCH PDB ID - 3P20

Acta D, 2010 Plos, 2010 Biochemistry, 2010 J. Bioe. Biom, 2010 PDB ID - 3I7U PDB ID - 3HGF PDB ID - 2PKP PDB ID - 3LG8

J. Str. Bio, 2010 Acta D, 2010 J. Bact., 2009 PNAS, 2008 PDB ID - 3K7l PDB ID - 3JQJ PDB ID - 3GYX PDB ID - 2Z1O

JOURNAL EDITOR/EDITORIAL MEMBER/ REVIEWER

EDITOR/EDITORIAL MEMBER PloS ONE Current Bioinformatics Combinatorial Chemistry & High Throughput Screening REVIEWER Acta Crystallographica Sections ACS Omega Computational Biology and Chemistry Gene Indian Journal of Biochemistry & Biophysics International Journal of Bioinformatics Research International Journal of Bioinformatics Interdisciplinary Sciences Research and Applications Journal of Molecular Graphics and Modelling Journal of Biomolecular Structure & Dynamics Letters in Drug Design & Discovery Microbial Pathogenesis Molecular BioSystems Molecular Biology Reports Medicinal Chemistry Research Progress in Biophysics and Molecular Biology, Etc.,

EXTERNAL THESIS EXAMNIER – 37

S. Name of the Degree Awarding Title Year No candidate Institution Development of novel structure based K. Muthuvel methods, online database and web servers to Bharathidasan 1. 2020 Prasath predict Superfamily for the Annotation of University Twilight Zone Protein Sequences Dissecting the mechanistic properties of HisI (Rv1606) and the dynamics of Histidine National Institute of 2. Anam Ashraf 2021 Biosynthesis Enzymes in in-vivo infection of Immunology Mycobacterium tuberculosis Synthesis, Structural and Biological Studies of 3. M. K. Hema University of Mysore 2020 Metal-Oxygen Coordinated Complexes In silico strategies in developing new inhibitors Rama Krishna 4. against molecular targets in HIV and Osmania University 2019 Munnaluri Mycobacterium tuberculosis Biophysical Characterisation of ATP Dr. Vineet All India Institute of 5. Sulfurylase protein from Mycobacterium 2019 Mohan Samal Medical Sciences tuberculosis Computer Aided Drug Design, Synthesis and Biological Evaluation of Anti-bacterial Agents 6. Ballu Srilata Osmania University 2019 against Wild and Resistant Strains of Staphylococcus aureus K. N. Chethan Crystal and Molecular Studies of Medicinally 7. University of Mysore 2018 Prathap Important Heterocyclic Compounds Insights on binding mode of ruthenium based S. anticancer pro-drug like compound with serum Pondicherry 8. 2018 Chandrasekar albumin and “The catalyst of oxidative protein University folding”: A structural prospective Satyaprakash Structural and functional of Proliferating Cell All India Institute of 9. 2018 Yadav Nuclear Antigen from Leishmania donovani Medical Sciences Structural and Functional Characterization of Flavivirus Non-Structural Protein3 (NS3) in Nanyang 10. Ankita Pan solution and atomic and enzymatic insights of Technological 2018 vancomycin resistant Enterococcus faecalis University (V583) alkyl hydroperoxide subunit C Understanding key events involved in Age dependent Brain region specific alterations of Bharathidasan 11. P. Moorthi alzheimer's diseaese proteins that influence 2018 University neurodegeneration and dementia: Neuroprotective Role Structural and Mechanistic Insights into Nanyang Mycothiol disulfide reuctase, Mycoredoxin-1 12. Arvind Kumar Technological 2017 and peroxiredoxin alkyl hydroperoxide subunit University E of M. tuberculosis Structural and Bioinformatics Characterization Bharathiyar 13. P. Perumal of Quorum Sensing Proteins from the outer 2017 University membrane Enzymes of S.typhi V. Rajni Structure investigation of some novel Madurai Kamaraj 14. 2017 Swamy compounds University Dynamics of multitasking DegP and the role of HpHtrA as a therapeutic target: A Pondicherry 15. Nivedita Rai 2017 computational approach on HtrA family University Proteins Novel algorithms to predict the structure and Kalasalingam 16. M. Ajitha 2017 functions of uncharacterised proteins University Manish Structural and Functional Studies on PTK6, A 17. Kumar University of Mysore 2017 kinase involved in cancer Thakur Hiral Evaluation of protein Expression pattern Maharaja Sayajirao, 18. 2017 Murawala during vertebrate appendage regeneration University of Baroda Studies on Laccase production from T. Arun Sathyabama 19. Pseudomonas species and its application in 2017 Kumar University degradation of azo enzymes Insilico Drug design and synthesis of potential University college of 20. B. Sai Krishna 2016 antimalarial agents science Ms. Jemmy Immunoinformatics approach for the study of Sathyabama 21. 2016 Christy. H HIV-1 isolated from Indian population University Crystal and molecular structure studies of 22. B.R.Anitha some chalcone derivatives in medicinal University of Mysore 2016 interests Isolation, Structural characterization and Enock Kiage Anticancer potential of Bioactive Compounds 23. Karpagam University 2016 Oirere from Alipina purpurata: An Invitro and Insilco Approach Molecular Cloning, Functional Analysis and Kotapati Kasi Pondicherry 24. Structural Prediction of Lipoxygenase from 2016 Viswanath University Eleusine coracana seedlings Investigations on the role of Non-Conventional Vellore Institute of 25. Lavanya P 2016 Hydrogen bonds and its impact on stability and Technology specificity of b-lactamases and Penicillin Binding Protein Characterisation of p73 and Insilico based Drug All India Institute of 26. Divyani Paul 2016 Design for stabilization of p53 mutants Medical Sciences Ovarian Cancer regulation by ID1 and ARHI Pondicherry 27. M. Kannan 2015 Proteins: A structural Perspective University Elucidating the plausible mechanism for the adriamycin induced lipotoxicity leading to Bharathidasan 28. S. Kalaiselvi type2 diabetes, cardiomyopathy, and 2015 University reproductive toxicity: A remedy through Costus pictus supplementation P. Manoj Structural understanding of Protein Function Madurai kamaraj 29. 2014 Kumar in relation to prophage protein yage University New cancer therapeutics- Inhibitors for novel 30. K. Bhargavi BCl2 mitochondrial protein to initiate Osmania University 2013 apoptosis Computer aided drug design and synthesis of 31. L. Yamini Osmania University 2013 DHFR inhibitors In-silico assessment of interrelationship Bharathidasan 32. A. Maheswari 2013 between protein folding and protein stability University Computational Analysis of Claudin1 in different V. Bhavani Vellore Institute of 33. pathological conditions: A molecular dynamics 2013 Prasad Technology approach In-vitro evaluation and In-silico analysis of Bharathidasan 34. C. Rani Novel Drug leads and targets from sponge 2012 University associated marine bacteria Comparative Analysis on Large Hydrophobic Bharathidasan 35. C.S.Vinobha Residues and Small Hydrophobic Residues in 2012 University different organisms Studies on the effect of isolated and R. Sathish characterised phytochemical compounds of Bharathiyar 36. 2011 Kumar Enicostemma Littorale Blume on the cancer University target Structure based in-silico tool development for Bharathidasan 37. K. Ganesan the annotation of twilight zone protein 2011 University sequences

CONFERENCE PRESENTATIONS: 131

Presentation in International Level events: 59

Presentation in National Level events: 72

INAUGURAL/VALEDICTORY ADDRESS DELIVERED: 34

Title of National / Conference/ Organizer, with S. No Date(s) Role Internation Seminar/ Place al Workshop etc. Biochemistry Sri Saradha Niketan September Inaugural 1. N Exhibition College 09, 2012 Address BYOKEM for Women, “X” BIT Amaravathipudur Department of Karpagam Biochemistry and University 5th Bioinformatics Key note 2. Annual Research December, N Karpagam Speaker Congress KUARC- 2014 University 2014 Coimbatore Department of National Seminar Bioinformatics , February on 3. Bharathiar 26th – Inaugural Address N Biocheminformat University, 27th, 2016 ics Coimbatore International Department of 27th Workshop on Computer Science, 4. September, Felicitation address I Data Science and Alagappa University, 2016 Analytics Karaikudi National School of Bio 17th Workshop on Sciences and November, 5. Computational Technology, VIT 2016 Keynote Address N Analysis of University, Vellore Molecular Data Winter Schools Thiagarajar College, 21st organized by Madurai November, Inaugural 6. National Centre 2016 N Address of Excellence (MHRD) Department of Recent Trends in 20th – 21st Microbiology, 7. Microbiology December, I Alagappa University, Inaugural address (RTM’2016) 2016 Karaikudi Department of Two – Day Commerce and Workshop on ICT International 24th Based Innovative Business & Higher 8. January, Felicitation address N Teaching Education 2017 Methods in Innovation Cell, Business Studies Alagappa University, Karaikudi Department of One day Training Mathematics & th Program on 10 University Business “LATEX” – A February, 9. Collaboration N Mathematical 2017 Special Address Centre, Alagappa Document University, Preparation Tool Karaikudi Alagappa University Health Care Centre & Awareness Alagappa University 10th Program on First 10. College of Physical February, N Aid and Basic Felicitation address Education, Alagappa 2017 Life Support University, Karaikudi International Ramanujan Centre 22nd 11. Conference on for Higher February, Felicitation address I Mathematical Mathematics & 2017 Modeling and Department of Computational Mathematics, Methods in Alagappa University, Science and Karaikudi Engineering University Business Two day Collaboration Centre Workshop on th & Dept. of Computer 27 Career Prospects 12. Science, Alagappa February, Felicitation address N & Developments University, 2017 in Computer Karaikudi Science

Business Dept. of Physics & Oriented Hands- Business nd on Training on Collaboration Centre 2 March, 13. Felicitation address N Analytical & Consultancy Cell, 2017 Instrumentation Alagappa University, (HI-BOAT) Karaikudi Two day training Equal Opportunity Programme on nd and Placement cell, 2 March, 14. “Campus Felicitation address N Alagappa University, 2017 Interview Skills” Karaikudi

Three Days Zonal Level Orientation Alagappa University Training & Alagappa Chettiar nd Programme for 22 March, 15. College of Felicitation address N YRC Volunteers 2017 Engineering and and YRC Technology Programme Officers National Conference on Department of th Futuristic Physics, Alagappa 27 March, 16. Felicitation address N Materials (NCFM- University, 2017 2017) Karaikudi

Three Days Zonal Youth Red Cross, Level Orientation Alagappa University Training & Alagappa Chettiar nd Programme for 22 March, 17. College of Valedictory address N YRC Volunteers 2017 Engineering and and YRC Technology, Programme Karaikudi Officers Two day training Equal Opportunity Programme on nd 18. and Placement cell, 02 March, Campus Felicitation address N Alagappa University, 2017 Interview Skills Karaikudi

Business Dept. of Physics & Oriented Hands- Business nd on Training on Collaboration Centre 02 March, 19. Felicitation address N Analytical & Consultancy Cell, 2017 Instrumentation Alagappa University, (HI-BOAT) Karaikudi Two day University Business Workshop on Collaboration Centre 27th 20. Career Prospects & Dept. of Computer February, Felicitation address N & Developments Science, Alagappa 2017 in Computer University, Science Karaikudi UGC Sponsored Department of One Day History and Orientation th Alagappa 13 Programme on 21. Institute of Skill September, Valedictory address N “Know Your Development, 2017 Rights – Alagappa University, Empower Karaikudi Yourself” National Theme Industry and th on University – Consultancy Cell & 20 22. Industry Department of September, Felicitation address N Interface 2017 Physics 2017 (NTM U2I-2017) World Animal Department of 4th October, 23. Day Celebration Animal Health and Thematic address N 2017 Management Four Days National Workshop Cum Short Term Department of Training th Botany and 8 January, 24. Programme on Felicitation address N University Business 2018 Cultivation of Collaboration Centre Mushroom and Business Commercializatio n National Service Scheme and Swami Vivekananda Centre th Arise Youth 12 for Higher Research 25. Empowerment January, Inaugural address N and Education & Programme 2018 Heartfulness Institute, Chennai (Karaikudi Centre) 2nd International th Conference on Department of 12 26. Recent Trends in Microbiology, January, Valedictory address I Microbiology Alagappa University 2018 (RTM - 2018) Two day orientation programme on Department of th Marketing 09 Commerce and 27. Strategies for February, Felicitation address N University Business Business 2018 Collaboration Centre Excellence (MSBE-2018)

National Trends in Skill th 28. Alagappa Institute of 20 March, Informatics Valedictory address N Skill Development 2018 (NCRTI - 2018)

National Conference on Conservation and School of Marine Sustainable Sciences, nd Development of 22 March, 29. Department of Inaugural address N Marine 2018 Oceanography & Resources Coastal Area Studies (CASDOMAR – 2018

Idhayam Merit Rotary Club of th Excellence Karaikudi and 24 July, 30. Motivational Address N Awards-2018 Rotary Club of 2018 Virudhunagar Department of Inauguration of Biotechnology & Life Science Microbiology, 21st August, Inaugural Address 31. Association Bio Vidhyaa Giri College 2018 N Cogniza 2K18 & of Arts and Science, Herbal Puduvayal, Karaikudi 1st two days National Workshop on Department of 18th “indigenous Cow Animal Health and 32. December, Felicitation N Management and Management, 2018 their Value Alagappa University Added Products”

4th Batch of MBA (Logistics Department of th Management) Logistics 8 July, 33. Felicitation Address N Inauguration & Management, 2019 Orientation Alagappa University Programme th Department of 16 World Habitat 34. Botany, Alagappa October, Special Address N Day University 2019

J. Jeyakanthan

*********