First structure–activity relationship analysis of SARS-CoV-2 virus main protease (Mpro) inhibitors: an endeavor on COVID-19 drug discovery

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Meet Our Section Editor

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Prediction of Novel Inhibitors of the Main Protease (M-pro) of SARS-CoV-2 through Consensus Docking and Drug Reposition

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Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease

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Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors

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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

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Development of a simple, interpretable and easily transferable QSAR model for quick screening antiviral databases in search of novel 3C-like protease (3CLpro) enzyme inhibitors against SARS-CoV diseases

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In silico modeling for quick prediction of inhibitory activity against 3CLpro enzyme in SARS CoV diseases

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SARS-CoV Mpro inhibitory activity of aromatic disulfide compounds: QSAR model

(2020) Andrey A. Toropov et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Chemical-informatics approach to COVID-19 drug discovery: Exploration of important fragments and data mining based prediction of some hits from natural origins as main protease (Mpro) inhibitors

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