Identification of potential antivirals against 3CLpro enzyme for the treatment of SARS-CoV-2: A multi-step virtual screening study-Reference-Cited by-同舟云学术

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Identification of potential antivirals against 3CLpro enzyme for the treatment of SARS-CoV-2: A multi-step virtual screening study

Published:2022-04-05 Issue:5 Volume:33 Page:357-386
ISSN:1062-936X
Container-title:SAR and QSAR in Environmental Research
language:en
Short-container-title:SAR and QSAR in Environmental Research

Author:

Kumar V.¹,Kar S.²^ORCID,De P.¹,Roy K.¹^ORCID,Leszczynski J.²^ORCID

Affiliation:

1. Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India

2. Department of Chemistry, Physics and Atmospheric Sciences interdisciplinary Center for Nontoxicity, Jackson State University, Jackson, MS, USA

Funder

Indian Council of Medical Research (ICMR), Govt. of India

National Science Foundation

NSF

Publisher

Informa UK Limited

Subject

Drug Discovery,Molecular Medicine,General Medicine,Bioengineering

Link

https://www.tandfonline.com/doi/pdf/10.1080/1062936X.2022.2055140

Reference46 articles.

1. 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

2. Identification of 3-chymotrypsin like protease (3CLPro) inhibitors as potential anti-SARS-CoV-2 agents

3. Ligand-based quantitative structural assessments of SARS-CoV-2 3CLpro inhibitors: An analysis in light of structure-based multi-molecular modeling evidences

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1. The application of chemical similarity measures in an unconventional modeling framework c-RASAR along with dimensionality reduction techniques to a representative hepatotoxicity dataset;Scientific Reports;2024-09-06

2. A SAR and QSAR study on 3CLpro inhibitors of SARS-CoV-2 using machine learning methods;SAR and QSAR in Environmental Research;2024-07-02

3. First report on the QSAR modelling and multistep virtual screening of the inhibitors of nonstructural protein Nsp14 of SARS-CoV-2: Reducing unnecessary chemical synthesis and experimental tests;Arabian Journal of Chemistry;2024-03

4. Docking and other computing tools in drug design against SARS-CoV-2;SAR and QSAR in Environmental Research;2024-02

5. Recent advances in chemometric modelling of inhibitors against SARS-CoV-2;Heliyon;2024-01

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