作者
Alaa M Elgohary, Abdo A Elfiky, Florbela Pereira, Tarek Mohamed Abd El-Aziz, Mansour Sobeh, Reem K Arafa, Amr El-Demerdash
发表日期
2022/8/1
期刊
Computers in Biology and Medicine
卷号
147
页码范围
105738
出版商
Pergamon
简介
Over a span of two years ago, since the emergence of the first case of the novel coronavirus (SARS-CoV-2) in China, the pandemic has crossed borders causing serious health emergencies, immense economic crisis and impacting the daily life worldwide. Despite the discovery of numerous forms of precautionary vaccines along with other recently approved orally available drugs, yet effective antiviral therapeutics are necessarily needed to hunt this virus and its variants. Historically, naturally occurring chemicals have always been considered the primary source of beneficial medications. Considering the SARS-CoV-2 main protease (Mpro) as the duplicate key element of the viral cycle and its main target, in this paper, an extensive virtual screening for a focused chemical library of 15 batzelladine marine alkaloids, was virtually examined against SARS-CoV-2 main protease (Mpro) using an integrated set of modern …
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