Investigating the novel acetonitrile derivatives as potential SARS-CoV-2 main protease inhibitor using molecular modeling approach.

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作者： Anandsing Fattesing,Patil ^[1] ; Vijay Shivaji,Patil ^[2] ; Dipak Premchand,Jaiswal ^[3] ; Sandip Sumant,Palakhe ^[4] ; Sandip Pandurang,Patil ^[5] ; Bajarang Vasant,Kumbhar ^[6]

作者单位： Department of Chemistry, A. C. S. College Navapur, K. B. C. N. M. U, Jalgaon, Maharashtra, India. ^[1] Department of Chemistry, Science College Akkalkuwa, K. B. C. N. M. U, Jalgaon, Maharashtra, India. ^[2] Department of Zoology, A. C. S. College Navapur, K. B. C. N. M. U, Jalgaon, Maharashtra, India. ^[3] Department of Chemistry A. C. S. College Dharangaon, K. B. C. N. M. U, Jalgaon, Maharashtra, India. ^[4] Department of Chemistry G.T.P. College Nandurbar, K. B. C. N. M. U, Jalgaon, Maharashtra, India. ^[5] Department of Biological Sciences, Sunandan Divatia School of Science, NMIMS University (Deemed to be), Mumbai, Maharashtra, India. ^[6]

关键词 ADMET SARS-CoV-2 acetonitrile derivatives docking molecular dynamics simulation

主题词人类(Humans);RNA, 病毒(RNA, Viral);分子动力学模拟(Molecular Dynamics Simulation);乙腈类(Acetonitriles);蛋白酶抑制药(Protease Inhibitors)

DOI 10.1080/07391102.2022.2059568

PMID 35382699

发布时间 2023-05-11

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