Antibiotic Resistance Gene Resource and Assay List
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A Computational Drug Repositioning Case Study Prashant S. Kharkar1*, Ponnadurai Ramasami2, Yee S
Electronic Supplementary Material (ESI) for RSC Advances. This journal is © The Royal Society of Chemistry 2016 Discovery of Anti-Ebola Drugs: A Computational Drug Repositioning Case Study Prashant S. Kharkar1*, Ponnadurai Ramasami2, Yee Siew Choong3, Lydia Rhyman2 and Sona Warrier1 1SPP School of Pharmacy and Technology Management, SVKM’s NMIMS, V. L. Mehta Road, Vile Parle (West), Mumbai-400 056. INDIA. 2 Computational Chemistry Group, Department of Chemistry, Faculty of Science, University of Mauritius, Réduit 80837, Mauritius 3Institute for Research in Molecular Medicine (INFORMM), Universiti Sains Malaysia, Malaysia Contents Sr. No. Description Page No. 1 Table 1S 1 2 Figure 1S 28 3 Figure 2S 29 4 Figure 3S 30 5 Figure 4S 31 6 Figure 5S 32 Table 1S. Top hits (#100) identified from EON screening using query 1 Estimated Sr. EON_ Shape Free Energy Drug Structure ET_pb ET_coul ET_combo Rank No. Tanimoto of Binding (kcal/mol) OH O Br N O 1 1 S -9.88 HO O O O S O O 2 Sitaxentan S 0.633 0.914 0.926 0.294 1 -14.37 HN O Cl O N O HO 3 Alitretinoina 0.66 0.91 0.906 0.246 2 -3.91 NH 2 S N N O O HN 4 Ceftriaxone S 0.606 0.937 0.823 0.217 3 -12.33 N O S N O HO O N N O H O a 5 Acitretin O 0.637 0.936 0.809 0.172 4 -3.71 OH HO NH 2 HO N N 6 Cidofovir P O 0.473 0.633 0.783 0.31 5 -4.21 HO O O N N N N 7 Telmisartan 0.601 0.908 0.775 0.174 6 -6.46 OH O 8 Nateglinidea HN 0.54 0.874 0.745 0.205 7 -3.78 OH O O H N 2 S OH N O N S O 9 Ceftizoxime N 0.557 0.88 0.735 0.178 8 -11.35 H O N O OH O 10 Treprostinil OH 0.432 0.846 0.732 0.301 9 -3.41 O HO O O S -
Mediated Peptidoglycan Cross-Linking and B-Lactam Resistance In
RESEARCH ARTICLE Factors essential for L,D-transpeptidase- mediated peptidoglycan cross-linking and b-lactam resistance in Escherichia coli Jean-Emmanuel Hugonnet1,2,3, Dominique Mengin-Lecreulx4, Alejandro Monton5, Tanneke den Blaauwen5, Etienne Carbonnelle1,2,3, Carole Veckerle´ 1,2,3, Yves, V. Brun6, Michael van Nieuwenhze6, Christiane Bouchier7, Kuyek Tu1,2,3, Louis B Rice8, Michel Arthur1,2,3* 1INSERM, UMR_S 1138, Centre de Recherche des Cordeliers, Paris, France; 2Sorbonne Universite´s, UPMC Universite´ Paris 06, UMR_S 1138, Centre de Recherche des Cordeliers, Paris, France; 3Universite´ Paris Descartes, Sorbonne Paris Cite´, UMR_S 1138, Centre de Recherche des Cordeliers, Paris, France; 4Institute for Integrative Biology of the Cell (I2BC), CEA, CNRS, Universite´ Paris-Sud, Universite´ Paris-Saclay, Gif-sur-Yvette, France; 5Bacterial Cell Biology and Physiology, Swammerdam Institute for Life Sciences, University of Amsterdam, Amsterdam, Netherlands; 6Indiana University, Indiana, United States; 7Institut Pasteur, Paris, France; 8Rhode Island Hospital, Brown University, Providence, United States Abstract The target of b-lactam antibiotics is the D,D-transpeptidase activity of penicillin- binding proteins (PBPs) for synthesis of 4fi3 cross-links in the peptidoglycan of bacterial cell walls. Unusual 3fi3 cross-links formed by L,D-transpeptidases were first detected in Escherichia coli more than four decades ago, however no phenotype has previously been associated with their synthesis. Here we show that production of the L,D-transpeptidase YcbB in combination with elevated *For correspondence: michel. synthesis of the (p)ppGpp alarmone by RelA lead to full bypass of the D,D-transpeptidase activity [email protected] of PBPs and to broad-spectrum b-lactam resistance. -
Medical Review(S) Clinical Review
CENTER FOR DRUG EVALUATION AND RESEARCH APPLICATION NUMBER: 200327 MEDICAL REVIEW(S) CLINICAL REVIEW Application Type NDA Application Number(s) 200327 Priority or Standard Standard Submit Date(s) December 29, 2009 Received Date(s) December 30, 2009 PDUFA Goal Date October 30, 2010 Division / Office Division of Anti-Infective and Ophthalmology Products Office of Antimicrobial Products Reviewer Name(s) Ariel Ramirez Porcalla, MD, MPH Neil Rellosa, MD Review Completion October 29, 2010 Date Established Name Ceftaroline fosamil for injection (Proposed) Trade Name Teflaro Therapeutic Class Cephalosporin; ß-lactams Applicant Cerexa, Inc. Forest Laboratories, Inc. Formulation(s) 400 mg/vial and 600 mg/vial Intravenous Dosing Regimen 600 mg every 12 hours by IV infusion Indication(s) Acute Bacterial Skin and Skin Structure Infection (ABSSSI); Community-acquired Bacterial Pneumonia (CABP) Intended Population(s) Adults ≥ 18 years of age Template Version: March 6, 2009 Reference ID: 2857265 Clinical Review Ariel Ramirez Porcalla, MD, MPH Neil Rellosa, MD NDA 200327: Teflaro (ceftaroline fosamil) Table of Contents 1 RECOMMENDATIONS/RISK BENEFIT ASSESSMENT ......................................... 9 1.1 Recommendation on Regulatory Action ........................................................... 10 1.2 Risk Benefit Assessment.................................................................................. 10 1.3 Recommendations for Postmarketing Risk Evaluation and Mitigation Strategies ........................................................................................................................ -
United States Patent ( 10 ) Patent No.: US 10,561,6759 B2 Griffith Et Al
US010561675B2 United States Patent ( 10 ) Patent No.: US 10,561,6759 B2 Griffith et al. (45 ) Date of Patent : * Feb . 18 , 2020 (54 ) CYCLIC BORONIC ACID ESTER ( 58 ) Field of Classification Search DERIVATIVES AND THERAPEUTIC USES CPC A61K 31/69 ; A61K 31/396 ; A61K 31/40 ; THEREOF A61K 31/419677 (71 ) Applicant: Rempex Pharmaceuticals , Inc. , (Continued ) Lincolnshire , IL (US ) (56 ) References Cited (72 ) Inventors : David C. Griffith , San Marcos, CA (US ) ; Michael N. Dudley , San Diego , U.S. PATENT DOCUMENTS CA (US ) ; Olga Rodny , Mill Valley , CA 4,194,047 A 3/1980 Christensen et al . ( US ) 4,260,543 A 4/1981 Miller ( 73 ) Assignee : REMPEX PHARMACEUTICALS , ( Continued ) INC . , Lincolnshire , IL (US ) FOREIGN PATENT DOCUMENTS ( * ) Notice : Subject to any disclaimer, the term of this EP 1550657 A1 7/2005 patent is extended or adjusted under 35 JP 2003-229277 A 8/2003 U.S.C. 154 ( b ) by 1129 days. (Continued ) This patent is subject to a terminal dis claimer . OTHER PUBLICATIONS Abdel -Magid et al. , “ Reductive Amination ofAldehydes and Ketones ( 21) Appl. No .: 13 /843,579 with Sodium Triacetoxyborohydride: Studies on Direct and Indirect Reductive Amination Procedures ” , J Org Chem . ( 1996 )61 ( 11 ): 3849 ( 22 ) Filed : Mar. 15 , 2013 3862 . (65 ) Prior Publication Data (Continued ) US 2013/0331355 A1 Dec. 12 , 2013 Primary Examiner — Shengjun Wang Related U.S. Application Data (74 ) Attorney, Agent, or Firm — Wilmer Cutler Pickering (60 ) Provisional application No.61 / 656,452 , filed on Jun . Hale and Dorr LLP 6 , 2012 (57 ) ABSTRACT (51 ) Int. Ci. A61K 31/69 ( 2006.01) Method of treating or ameliorating a bacterial infection A61K 31/00 ( 2006.01 ) comprising administering a composition comprising a cyclic (Continued ) boronic acid ester compound in combination with a car ( 52 ) U.S. -
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VOLUME 7 NOMOR 2 DESEMBER 2020 ISSN 2548 – 611X JURNAL BIOTEKNOLOGI & BIOSAINS INDONESIA Homepage Jurnal: http://ejurnal.bppt.go.id/index.php/JBBI IN SILICO STUDY OF CEPHALOSPORIN DERIVATIVES TO INHIBIT THE ACTIONS OF Pseudomonas aeruginosa Studi In Silico Senyawa Turunan Sefalosporin dalam Menghambat Aktivitas Bakteri Pseudomonas aeruginosa Saly Amaliacahya Aprilian*, Firdayani, Susi Kusumaningrum Pusat Teknologi Farmasi dan Medika, BPPT, Gedung LAPTIAB 610-612 Kawasan Puspiptek, Setu, Tangerang Selatan, Banten 15314 *Email: [email protected] ABSTRAK Infeksi yang diakibatkan oleh bakteri gram-negatif, seperti Pseudomonas aeruginosa telah menyebar luas di seluruh dunia. Hal ini menjadi ancaman terhadap kesehatan masyarakat karena merupakan bakteri yang multi-drug resistance dan sulit diobati. Oleh karena itu, pentingnya pengembangan agen antimikroba untuk mengobati infeksi semakin meningkat dan salah satu yang saat ini banyak dikembangkan adalah senyawa turunan sefalosporin. Penelitian ini melakukan studi mengenai interaksi tiga dimensi (3D) antara antibiotik dari senyawa turunan Sefalosporin dengan penicillin-binding proteins (PBPs) pada P. aeruginosa. Tujuan dari penelitian ini adalah untuk mengklarifikasi bahwa agen antimikroba yang berasal dari senyawa turunan sefalosporin efektif untuk menghambat aktivitas bakteri P. aeruginosa. Struktur PBPs didapatkan dari Protein Data Bank (PDB ID: 5DF9). Sketsa struktur turunan sefalosporin digambar menggunakan Marvins Sketch. Kemudian, studi mengenai interaksi antara antibiotik dan PBPs dilakukan menggunakan program Mollegro Virtual Docker 6.0. Hasil yang didapatkan yaitu nilai rerank score terendah dari kelima generasi sefalosporin, di antaranya sefalotin (-116.306), sefotetan (-133.605), sefoperazon (-160.805), sefpirom (- 144.045), dan seftarolin fosamil (-146.398). Keywords: antibiotik, penicillin-binding proteins, P. aeruginosa, sefalosporin, studi interaksi ABSTRACT Infections caused by gram-negative bacteria, such as Pseudomonas aeruginosa, have been spreading worldwide. -
AMR Surveillance in Pharma: a Case-Study for Data Sharingauthor by Professor Barry Cookson
AMR Open Data Initiative AMR Surveillance in Pharma: a case-study for data sharingauthor by Professor Barry Cookson External Consultant to Project eLibrary • Division of Infection and Immunity, Univ. College London ESCMID• Dept. of Microbiology, © St Thomas’ Hospital Background of “90 day Project” Addressed some recommendations of the first Wellcome funded multi-disciplinary workshop (included Pharma Academia & Public Health invitees: 27thauthor July 2017 (post the Davos Declaration): by 1) Review the landscape of existing Pharma AMR programmes, their protocols,eLibrary data standards and sets 2) Develop a "portal" (register/platform) to access currently available AMR Surveillance data ESCMID Important ©to emphasise that this is a COLLABORATION between Pharma and others Overview of Questionnaire Content • General information - including name,author years active, countries, antimicrobials, microorganisms.by • Methodology - including accreditation, methodology for; surveillance, isolate collection, organism identification, breakpointseLibrary used, • Dataset - including data storage methodology, management and how accessed. ESCMID © 13 Company Responses author 7 by 3 3 eLibrary ESCMID © Structure of register Companies can have different ways of referring to their activities: We had to choose a consistent framework. author Companies Companyby 1 Programmes Programme A Programme B eLibrary Antimicrobials 1 2 3 4 5 company’s product comparator company’s product antimicrobials Programmes canESCMID contain multiple studies (e.g. Pfizer has© single -
Compositions and Methods to Improve the Oral Absorption of Antimicrobial Agents
(19) & (11) EP 2 263 654 A1 (12) EUROPEAN PATENT APPLICATION (43) Date of publication: (51) Int Cl.: 22.12.2010 Bulletin 2010/51 A61K 9/16 (2006.01) A61K 47/36 (2006.01) (21) Application number: 10181335.0 (22) Date of filing: 18.06.2001 (84) Designated Contracting States: (72) Inventors: AT BE CH CY DE DK ES FI FR GB GR IE IT LI LU • Choi, Seung-Ho MC NL PT SE TR Salt Lake City, UT 84109 (US) • Lee, Jeoung-Soo (30) Priority: 21.06.2000 US 598089 Salt Lake City, UT 84117 (US) 09.04.2001 US 829405 • Keith, Dennis 16.04.2001 US 283976 P Arlington, MA 02474 (US) (62) Document number(s) of the earlier application(s) in (74) Representative: Williams, Gareth Owen accordance with Art. 76 EPC: Marks & Clerk LLP 01944619.4 / 1 294 361 62-68 Hills Road Cambridge (71) Applicants: CB2 1LA (GB) • Cubist Pharmaceuticals, Inc. Lexington, MA 02421 (US) Remarks: • International Health Management Associates, This application was filed on 28-09-2010 as a Inc. divisional application to the application mentioned Schaumburg, IL 60173 (US) under INID code 62. • The University of Utah Research Foundation Salt Lake City, UT 84108 (US) (54) Compositions and methods to improve the oral absorption of antimicrobial agents (57) The present invention provides compositions sive, an antimicrobial agent, and a cationic binding agent and methods for increasing absorption of antibacterial contained within the biopolymer such that the binding agents, particularly third generation cephalosporin anti- agent is ionically bound or complexed to at least one bacterial agents, in oral dosage solid and/or suspension member selected from the group consisting of the biopol- forms. -
Pharmaceutical Applications Notebook
Pharmaceutical Applications Notebook Antibiotics Table of Contents Index of Analytes .......................................................................................................................................................................3 Introduction to Pharmaceuticals ................................................................................................................................................4 UltiMate 3000 UHPLC+ Systems .............................................................................................................................................5 IC and RFIC Systems ................................................................................................................................................................6 MS Instruments .........................................................................................................................................................................7 Chromeleon 7 Chromatography Data System Software ..........................................................................................................8 Process Analytical Systems and Software ................................................................................................................................9 Automated Sample Preparation ..............................................................................................................................................10 Analysis of Antibiotics ...........................................................................................................................................................11 -
Choline Esters As Absorption-Enhancing Agents for Drug Delivery Through Mucous Membranes of the Nasal, Buccal, Sublingual and Vaginal Cavities
J|A Europaisches Patentamt 0 214 ® ^KUw ^uroPean Patent O^ice (fl) Publication number: 898 Office europeen des brevets A2 © EUROPEAN PATENT APPLICATION @ Application number: 86401812.2 (3) Int. CI.4: A 61 K 47/00 @ Date of filing: 13.08.86 @ Priority: 16.08.85 US 766377 © Applicant: MERCK & CO. INC. 126, East Lincoln Avenue P.O. Box 2000 @ Date of publication of application : Rahway New Jersey 07065 (US) 18.03.87 Bulletin 87/12 @ Inventor: Alexander, Jose @ Designated Contracting States : 2909 Westdale Court CH DE FR GB IT LI NL Lawrence Kansas 66044 (US) Repta, A.J. Route 6, Box 100N Lawrence Kansas 66046 (US) Fix, Joseph A. 824 Mississippi Lawrence Kansas 66044 (US) @ Representative: Ahner, Francis et al CABINET REGIMBEAU 26, avenue Kleber F-75116 Paris (FR) |j) Choline esters as absorption-enhancing agents for drug delivery through mucous membranes of the nasal, buccal, sublingual and vaginal cavities. @ Choline esters are used as drug absorption enhancing agents for drugs which are poorly absorbed from the nasal, oral, and vaginal cavities. ! r ■ i ■ I njndesdruckerei Berlin 0 214 898 Description CHOLINE ESTERS AS ABSORPTION-ENHANCING AGENTS FOR DRUG DELIVERY THROUGH MUCOUS MEMBRANES OF THE NASAL, BUCCAL, SUBLINGUAL AND VAGINAL CAVITIES 5 BACKGROUND OF THE INVENTION The invention relates to a novel method and compositions for enhancing absorption of drugs from the nasal, buccal, sublingual and vaginal cavities by incorporating therein a choline ester absorption enhancing agent. The use of choline esters to promote nasal, buccal, sublingual and vaginal drug delivery offers several advantages over attempts to increase drug absorption from the gastrointestinal tract. -
G Genito Urinary System and Sex Hormones
WHO/EMP/RHT/TSN/2018.2 © World Health Organization 2018 Some rights reserved. This work is available under the Creative Commons Attribution-NonCommercial-ShareAlike 3.0 IGO licence (CC BY-NC-SA 3.0 IGO; https://creativecommons.org/licenses/by-nc-sa/3.0/igo). Under the terms of this licence, you may copy, redistribute and adapt the work for non-commercial purposes, provided the work is appropriately cited, as indicated below. In any use of this work, there should be no suggestion that WHO endorses any specific organization, products or services. The use of the WHO logo is not permitted. If you adapt the work, then you must license your work under the same or equivalent Creative Commons licence. If you create a translation of this work, you should add the following disclaimer along with the suggested citation: “This translation was not created by the World Health Organization (WHO). WHO is not responsible for the content or accuracy of this translation. The original English edition shall be the binding and authentic edition”. Any mediation relating to disputes arising under the licence shall be conducted in accordance with the mediation rules of the World Intellectual Property Organization. Suggested citation. Learning clinical pharmacology with the use of INNs and their stems. Geneva: World Health Organization; 2018 (WHO/EMP/RHT/TSN/2018.2). Licence: CC BY-NC-SA 3.0 IGO. Cataloguing-in-Publication (CIP) data. CIP data are available at http://apps.who.int/iris. Sales, rights and licensing. To purchase WHO publications, see http://apps.who.int/bookorders. To submit requests for commercial use and queries on rights and licensing, see http://www.who.int/about/licensing. -
P147-Bioorgchem-Kanamycin Nucleotidyltransferase-1999.Pdf
Bioorganic Chemistry 27, 395±408 (1999) Article ID bioo.1999.1144, available online at http://www.idealibrary.com on Kinetic Mechanism of Kanamycin Nucleotidyltransferase from Staphylococcus aureus1 Misty Chen-Goodspeed,* Janeen L. Vanhooke,² Hazel M. Holden,² and Frank M. Raushel*,2 *Department of Chemistry, Texas A&M University, College Station, Texas 77843; and ²Department of Biochemistry, Institute for Enzyme Research, University of Wisconsin, Madison, Wisconsin 53705 Received December 16, 1998 Kanamycin nucleotidyltransferase (KNTase) catalyzes the transfer of the adenyl group from MgATP to either the 4Ј or 4Љ-hydroxyl group of aminoglycoside antibiotics. The steady state kinetic parameters of the enzymatic reaction have been measured by initial velocity, product, and dead-end inhibition techniques. The kinetic mechanism is ordered where the antibiotic binds prior to MgATP and the modified antibiotic is the last product to be released. The effects of altering the relative solvent viscosity are consistent with the release of the products as the rate-limiting step. The pH profiles for Vmax and V/KATP show that a single ionizable group with apK of ϳ8.9 must be protonated for catalysis. The V/K profile for kanamycin as a function of pH is bell-shaped and indicates that one group must be protonated with a pK value of 8.5, while another group must be unprotonated with a pK value of 6.6. An analysis of the kinetic constants for 10 different aminoglycoside antibiotics and 5 nucleotide triphosphates indicates very little difference in the rate of catalysis or substrate binding among these substrates. ᭧ 1999 Academic Press Key Words: kanamycin nucleotidyltransferase; antibiotic modification. -
PHARMACEUTICAL APPENDIX to the TARIFF SCHEDULE 2 Table 1
Harmonized Tariff Schedule of the United States (2020) Revision 19 Annotated for Statistical Reporting Purposes PHARMACEUTICAL APPENDIX TO THE HARMONIZED TARIFF SCHEDULE Harmonized Tariff Schedule of the United States (2020) Revision 19 Annotated for Statistical Reporting Purposes PHARMACEUTICAL APPENDIX TO THE TARIFF SCHEDULE 2 Table 1. This table enumerates products described by International Non-proprietary Names INN which shall be entered free of duty under general note 13 to the tariff schedule. The Chemical Abstracts Service CAS registry numbers also set forth in this table are included to assist in the identification of the products concerned. For purposes of the tariff schedule, any references to a product enumerated in this table includes such product by whatever name known.