Multidimensional virtual screening approaches combined with drug repurposing to identify potential covalent inhibitors of SARS-CoV-2 3CL protease-Reference-Cited by-同舟云学术

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Multidimensional virtual screening approaches combined with drug repurposing to identify potential covalent inhibitors of SARS-CoV-2 3CL protease

Published:2023-03-24 Issue:24 Volume:41 Page:15262-15285
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Wang Ying¹,Gao Qiushuang¹,Yao Peng¹,Yao Qizheng²,Zhang Ji¹³

Affiliation:

1. Department of Physical Chemistry, China Pharmaceutical University, Nanjing, People’s Republic of China

2. School of Pharmacy, China Pharmaceutical University, Nanjing, People’s Republic of China

3. State Key Laboratory of Natural Medicines, China Pharmaceutical University, Nanjing, People’s Republic of China

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2193994

Reference62 articles.

1. Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations

2. Repurposing simeprevir, calpain inhibitor IV and a cathepsin F inhibitor against SARS-CoV-2 and insights into their interactions with Mpro

3. Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CLpro

4. A drug repurposing screen identifies hepatitis C antivirals as inhibitors of the SARS-CoV2 main protease

5. Potential SARS-CoV-2 main protease inhibitors

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