Insight into the screening of potential beta-lactamase inhibitors as anti-bacterial chemical agents through pharmacoinformatics study.

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作者： Pratap,Parida ^[1] ; Shovonlal,Bhowmick ^[2] ; Achintya,Saha ^[2] ; Md Ataul,Islam ^[3]

作者单位： School of Medical Science and Technology, Indian Institute of Technology, Kharagpur, India. ^[1] Department of Chemical Technology, University of Calcutta, Kolkata, India. ^[2] Division of Pharmacy and Optometry, School of Health Sciences, Faculty of Biology, Medicine and Health, University of Manchester, Manchester, UK. ^[3] School of Health Sciences, University of Kwazulu-Natal, Durban, South Africa. ^[4] Department of Chemical Pathology, Faculty of Health Sciences, University of Pretoria and National Health Laboratory Service Tshwane Academic Division, Pretoria, South Africa. ^[5]

关键词 Beta-lactamase density function theory molecular docking molecular dynamics pharmacoinformatics

主题词抗菌药(Anti-Bacterial Agents);分子动力学模拟(Molecular Dynamics Simulation);β-内酰胺酶类(beta-Lactamases)

DOI 10.1080/07391102.2020.1720819

PMID 31984863

发布时间 2021-06-28

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