V. S. Stroylov, I. Svitanko, “Computational identification of disulfiram and neratinib as putative SARS-CoV-2 main protease inhibitors”, Mendeleev Commun., 30:4 (2020), 419

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Mendeleev Communications, 2020, Volume 30, Issue 4, Pages 419–420
DOI: https://doi.org/10.1016/j.mencom.2020.07.004 (Mi mendc1209)

This article is cited in 14 scientific papers (total in 14 papers)

Communications

Computational identification of disulfiram and neratinib as putative SARS-CoV-2 main protease inhibitors

V. S. Stroylov^a, I. Svitanko^ab

^a N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation
^b National Research University Higher School of Economics (HSE University), Moscow, Russian Federation

Full-text PDF (249 kB) Citations (14)

DOI: https://doi.org/10.1016/j.mencom.2020.07.004

Graphic abstract: Computational identification of disulfiram and neratinib as putative SARS-CoV-2 main protease inhibitors

Abstract: Identification of disulfiram and neratinib as putative covalent inhibitors of SARS-CoV-2 virus main protease M^pro by a combination of ‘on-top docking’ procedure, expert evaluation of potential hits and molecular dynamics is reported herein. This finding shows the importance of further development of virtual screening add-ons.

Keywords: SARS-CoV-2, molecular dynamics, main protease M^pro, molecular docking, neratinib, disulfiram.

Bibliographic databases:

Document Type: Article

Language: English

Citation: V. S. Stroylov, I. Svitanko, “Computational identification of disulfiram and neratinib as putative SARS-CoV-2 main protease inhibitors”, Mendeleev Commun., 30:4 (2020), 419–420

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https://www.mathnet.ru/eng/mendc1209

https://www.mathnet.ru/eng/mendc/v30/i4/p419

This publication is cited in the following 14 articles:

Citing articles in Google Scholar: Russian citations, English citations
Related articles in Google Scholar: Russian articles, English articles

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