Ebselen suitably interacts with the potential SARS-CoV-2 targets: an <i>in-silico</i> approach.

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作者： Chandan,Sarkar ^[1] ; Mohnad,Abdalla ^[2] ; Milon,Mondal ^[1] ; Abul Bashar Ripon,Khalipha ^[1] ; Nasir,Ali ^[3]

作者单位： Department of Pharmacy, Life Science Faculty, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalganj, Bangladesh. ^[1] Key Laboratory of Chemical Biology (Ministry of Education), Department of Pharmaceutics, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, Shandong Province, PR China. ^[2] CAS Key Laboratory of Biofuels and Shandong Provincial Key Laboratory of Synthetic Biology, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Shandong, China. ^[3]

关键词 ADME profiling COVID-19 Ebselen (SPI-1005)SARS-CoV-2 binding affinity molecular docking molecular dynamics

主题词人类(Humans);抗病毒药(Antiviral Agents);氮杂茂类(Azoles);分子动力学模拟(Molecular Dynamics Simulation);蛋白酶抑制药(Protease Inhibitors)

DOI 10.1080/07391102.2021.1971562

PMID 34459720

发布时间 2023-02-23

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