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Download E-Book (PDF) OPEN ACCESS African Journal of Pharmacy and Pharmacology 8 April, 2018 ISSN 1996-0816 DOI: 10.5897/AJPP www.academicjournals.org ABOUT AJPP The African Journal of Pharmacy and Pharmacology (AJPP) is published weekly (one volume per year) by Academic Journals. African Journal of Pharmacy and Pharmacology (AJPP) is an open access journal that provides rapid publication (weekly) of articles in all areas of Pharmaceutical Science such as Pharmaceutical Microbiology, Pharmaceutical Raw Material Science, Formulations, Molecular modeling, Health sector Reforms, Drug Delivery, Pharmacokinetics and Pharmacodynamics, Pharmacognosy, Social and Administrative Pharmacy, Pharmaceutics and Pharmaceutical Microbiology, Herbal Medicines research, Pharmaceutical Raw Materials development/utilization, Novel drug delivery systems, Polymer/Cosmetic Science, Food/Drug Interaction, Herbal drugs evaluation, Physical Pharmaceutics, Medication management, Cosmetic Science, pharmaceuticals, pharmacology, pharmaceutical research etc. The Journal welcomes the submission of manuscripts that meet the general criteria of significance and scientific excellence. Papers will be published shortly after acceptance. All articles published in AJPP are peer-reviewed. Contact Us Editorial Office: [email protected] Help Desk: [email protected] Website: http://www.academicjournals.org/journal/AJPP Submit manuscript online http://ms.academicjournals.me/ Editors Associate Editors Himanshu Gupta Department of Pharmacy Practice Dr. B. Ravishankar University of Toledo SDM Centre for Ayurveda and Allied Sciences, Toledo, OH SDM College of Ayurveda Campus, USA. Karnataka India. Prof. Zhe-Sheng Chen College of Pharmacy and Health Sciences Dr. Natchimuthu Karmegam St. John's University Department of Botany, New York, Government Arts College, USA. Tamil Nadu, India. Dr. Huma Ikram Neurochemistry and Biochemical Dr. Manal Moustafa Zaki Neuropharmacology Research Unit, Department of Veterinary Hygiene and Department of Biochemistry, Management University of Karachi Faculty of Veterinary Medicine, Karachi-75270 Cairo University Pakistan Giza, Egypt. Dr. Shreesh Kumar Ojha Molecular Cardiovascular Research Program Prof. George G. Nomikos College of Medicine Takeda Global Research & Development Center Arizona Health Sciences Center USA. University of Arizona Arizona, Prof. Mahmoud Mohamed El-Mas USA. Department of Pharmacology, Faculty of Pharmacy Dr. Vitor Engracia Valenti University of Alexandria, Departamento de Fonoaudiologia Alexandria, Faculdade de Filosofia e Ciências, Egypt. UNESP Brazil. Dr. Kiran K. Akula Electrophysiology & Neuropharmacology Research Unit Dr. Caroline Wagner Department of Biology & Biochemistry Universidade Federal do Pampa University of Houston Avenida Pedro Anunciação Houston, TX Brazil. USA. Dr. Ravi Shankar Shukla Macromolecule and Vaccine Stabilization Center Department of Pharmaceutical Chemistry University of Kansas USA. Editorial Board Prof. Fen Jicai Dr. Sirajunnisa Razack School of life science, Xinjiang University, Department of Chemical Engineering, Annamalai China. University, Annamalai Nagar, Tamilnadu, Dr. Ana Laura Nicoletti Carvalho India. Av. Dr. Arnaldo, 455, São Paulo, SP. Brazil. Prof. Ehab S. EL Desoky Professor of pharmacology, Faculty of Medicine Dr. Ming-hui Zhao Assiut University, Assiut, Professor of Medicine Egypt. Director of Renal Division, Department of Medicine Peking University First Hospital Dr. Yakisich, J. Sebastian Beijing 100034 Assistant Professor, Department of Clinical Neuroscience PR. China. R54 Karolinska University Hospital, Huddinge Prof. Ji Junjun 141 86 Stockholm , Guangdong Cardiovascular Institute, Guangdong General Sweden. Hospital, Guangdong Academy of Medical Sciences, China. Prof. Dr. Andrei N. Tchernitchin Head, Laboratory of Experimental Endocrinology and Prof. Yan Zhang Environmental Pathology LEEPA Faculty of Engineering and Applied Science, University of Chile Medical School, Memorial University of Newfoundland, Chile. Canada. Dr. Sirajunnisa Razack Dr. Naoufel Madani Department of Chemical Engineering, Medical Intensive Care Unit Annamalai University, Annamalai Nagar, Tamilnadu, University hospital Ibn Sina, Univesity Mohamed V India. Souissi, Rabat, Morocco. Dr. Yasar Tatar Marmara Unıversıty, Dr. Dong Hui Turkey. Department of Gynaecology and Obstetrics, the 1st hospital, NanFang University, Dr Nafisa Hassan Ali China. Assistant Professor, Dow institude of medical technology Dow University of Health Sciences,Chand bbi Road, Karachi, Prof. Ma Hui Pakistan. School of Medicine, Lanzhou University, China. Dr. Krishnan Namboori P. K. Computational Chemistry Group, Computational Prof. Gu HuiJun Engineering and Networking, School of Medicine, Taizhou university, Amrita Vishwa Vidyapeetham, Amritanagar, Coimbatore- China. 641 112 India. Dr. Chan Kim Wei Research Officer Prof. Osman Ghani Laboratory of Molecular Biomedicine, University of Sargodha, Institute of Bioscience, Universiti Putra, Pakistan. Malaysia. Dr. Liu Xiaoji Dr. Fen Cun School of Medicine, Shihezi University, Professor, Department of Pharmacology, Xinjiang China. University, China. African Journal of Pharmacy and Pharmacology Table of Contents: Volume 12 Number 13 8 April, 2018 ARTICL ES A systematic review: Application of in silico models for antimalarial drug discovery 159 Anurak Cheoymang and Kesara Na-Bangchang In vitro anti-inflammatory activity of Vangueria infausta: An edible wild fruit from Zimbabwe 168 Luke Gwatidzo, Leo Chowe, Cexton Musekiwa and Netai Mukaratirwa-Muchanyereyi Vol. 12(13), pp. 159-167, 8 April, 2018 DOI: 10.5897/AJPP2018.4904 Article Number: C72C07656648 African Journal of Pharmacy and ISSN 1996-0816 Copyright © 2018 Pharmacology Author(s) retain the copyright of this article http://www.academicjournals.org/AJPP Review A systematic review: Application of in silico models for antimalarial drug discovery Anurak Cheoymang1 and Kesara Na-Bangchang1,2,3* 1Chulabhorn International College of Medicine, Thammasat University, Phahonyothin Road, Klonglung, Pathum Thani 12120, Thailand. 2Center of Excellence in Pharmacology and Molecular Biology of Malaria and Cholangiocarcinoma, Thammasat University (Rangsit Campus), Paholyothin Rd., Pathumthani 12121, Thailand. 3Drug Discovery Center, Thammasat University (Rangsit Campus), Paholyothin Rd., Pathumthani 12121, Thailand. Received 14 February, 2018; Accepted 26 March, 2018 Malaria remains the global public health problem due to the reemergence of drug resistance. There is an urgent need for development of new antimalarial candidates which are effective against resistant malaria parasite. This systematic review evaluates the published research studies that applied in silico modeling during the discovery process of antimalarial drugs. Literature searches were conducted using PubMed, EBSCO, EMBASE, and Web of Science to identify the relevant articles using the search terms “Malaria” “In silico model”, “Computer-based drug design”, “Antimalarial drug”, and “Drug discovery”. Only the articles published in English between 2008 and May 2015 were included in the analysis. A total of 17 relevant articles met the search criteria. Most articles are studies specific to Plasmodium falciparum targets; 3 and 1 articles, respectively involve target for P. vivax and liver stage of Plasmodium. Both structure-based and ligand-based approaches were applied to obtain lead antimalarial candidates. Two articles also assessed absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties. Confirmation of activity of the candidate leads by in vitro and/or in vivo assays were reported in some studies. Homology modelling, molecular docking, 2D- or 3D-QSAR and pharmacophore modeling are commonly applied methods. One study used de novo synthesis for lead identification and one study applied phylogenetic analysis for target identification/validation. Key words: Plasmodium, malaria, antimalarial drug, drug discovery, in silico modeling, computer-based drug design, systematic review. INTRODUCTION Malaria is one of the most important global infectious developing countries (WHO, 2015). The major problem diseases affecting hundreds of millions of people each in malaria treatment and control is the emergence and year and is the main cause of socio-economic loss in spread of multidrug resistance Plasmodium falciparum *Corresponding author. E-mail: [email protected]. Author(s) agree that this article remain permanently open access under the terms of the Creative Commons Attribution License 4.0 International License 160 Afr. J. Pharm. Pharmacol. including artemisinin drugs. It is therefore an urgent are predicted to bind with high affinity and selectivity to need to search for alternative effective drug candidates. the target may be designed using interactive graphics Nevertheless, the process of drug discovery and and the intuition of a medicinal chemist or various development is both time-consuming (approximately 10- automated computational procedures to suggest new 15 years) and resource-consuming (approximately $1.5 drug candidates (Lounnas et al., 2013; March-Vila et al., billion per successful drug) (Ren et al., 2016). 2017). This systematic review focused on the analysis Rational drug design is an intensive process of finding of research articles which applied computational new medications based on knowledge of a biological approaches for antimalarial drug discovery. The target. Drug design involves the design of small information is useful for further development
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