Computational investigations of three main drugs and their comparison with synthesized compounds as potent inhibitors of SARS-CoV-2 main protease (Mpro): DFT, QSAR, molecular docking, and in silico toxicity analysis-Reference-Cited by-同舟云学术

Computational investigations of three main drugs and their comparison with synthesized compounds as potent inhibitors of SARS-CoV-2 main protease (Mpro): DFT, QSAR, molecular docking, and in silico toxicity analysis

Published:2021-03 Issue:2 Volume:33 Page:101315
ISSN:1018-3647
Container-title:Journal of King Saud University - Science
language:en
Short-container-title:Journal of King Saud University - Science

Author:

Mohapatra Ranjan K.,Perekhoda Lina,Azam Mohammad,Suleiman Marharyta,Sarangi Ashish K.,Semenets Anton,Pintilie Lucia,Al-Resayes Saud I.

Funder

King Saud University

Publisher

Elsevier BV

Subject

Multidisciplinary

Reference39 articles.

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5. Amin SA, Ghosh K, Gayen S, Jha T. Chemical-informatics approach to COVID-19 drug discovery: Monte Carlo based QSAR, virtual screening and molecular docking study of some in-house molecules as papain-like protease (PLpro) inhibitors. J Biomol Struct Dyn. 2020, 1-10. doi: 10.1080/07391102.2020.1780946. PMID: 32568618; PMCID: PMC7332872.

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