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

V. Stroylov; I. Svitanko

Статья

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

V. Stroylov, I. Svitanko,

2020

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

Identification of disulfiram and neratinib as putative covalent inhibitors of SARS-CoV-2 virus main protease M 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. pro

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1. Version of Record от 2020-07-01

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Об авторах

V. Stroylov
N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences
I. Svitanko
N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, National Research University Higher School of Economics

Название журнала

Mendeleev Communications

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Выпуск

Страницы

419-420

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Тип документа

journal article

Тип лицензии Creative Commons

CC BY

Правовой статус документа

Свободная лицензия

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scopus

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Статья

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

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