Computational investigation of drug bank compounds against 3C-like protease (3CLpro) of SARS-CoV-2 using deep learning and molecular dynamics simulation-Reference-Cited by-同舟云学术

Computational investigation of drug bank compounds against 3C-like protease (3CLpro) of SARS-CoV-2 using deep learning and molecular dynamics simulation

Published:2021-10-12 Issue: Volume: Page:
ISSN:1381-1991
Container-title:Molecular Diversity
language:en
Short-container-title:Mol Divers

Author:

Joshi Tushar,Sharma Priyanka,Mathpal Shalini,Joshi Tanuja,Maiti Priyanka,Nand Mahesha,Pande Veena,Chandra Subhash^ORCID

Publisher

Springer Science and Business Media LLC

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Drug Discovery,Molecular Biology,General Medicine,Information Systems,Catalysis

Link

https://link.springer.com/content/pdf/10.1007/s11030-021-10330-3.pdf

Reference40 articles.

1. Bogoch I, Watts A, Thomas-Bachli A, Huber C, Kraemer MUG, Khan K (2020) Pneumonia of unknown aetiology in Wuhan, China: potential for international spread via commercial air travel. J Travel Med. https://doi.org/10.1093/jtm/taaa008

2. Muralidharan N, Sakthivel R, Velmurugan D, Gromiha MM (2020) Computational studies of drug repurposing and synergism of lopinavir, oseltamivir and ritonavir binding with SARS-CoV-2 Protease against COVID-19. J Biomol Struct Dyn. https://doi.org/10.1080/07391102.2020.1752802

3. Thiel V, Ivanov KA, Putics A, Hertzig T, Schelle B, Bayer S, Weissbrich B, Snijder EJ, Rabenau H, Doerr HW, Gorbalenya AE, Ziebuhr J (2003) Mechanisms and enzymes involved in SARS coronavirus genome expression. J Gen Virol 84(Pt 9):2305–2315. https://doi.org/10.1099/vir.0.19424-0

4. He J, Hu L, Huang X, Wang C, Zhang Z, Wang Y, Zhang D, Ye W (2020) Potential of coronavirus 3C-like protease inhibitors for the development of new anti-SARS-CoV-2 drugs: Insights from structures of protease and inhibitors. Int J Antimicrob Agents 56:106055

5. Prajapat M, Sarma P, Shekhar N, Avti P, Sinha S, Kaur H, Kumar S, Bhattacharyya A, Kumar H, Bansal S, Medhi B (2020) Drug targets for corona virus: a systematic review. Indian J Pharmacol 52:56–65. https://doi.org/10.4103/ijp.IJP_115_20

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