Finding potent inhibitors for COVID-19 main protease (Mpro): an in silico approach using SARS-CoV-3CL protease inhibitors for combating CORONA-Reference-Cited by-同舟云学术

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Finding potent inhibitors for COVID-19 main protease (Mpro): an in silico approach using SARS-CoV-3CL protease inhibitors for combating CORONA

Published:2020-10-08 Issue: Volume: Page:1-12
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Motiwale Mohit¹,Yadav Neetu Singh²,Kumar Sushil³,Kushwaha Tushar⁴,Choudhir Gourav⁵,Sharma Supriya¹,Singour Pradeep Kumar¹

Affiliation:

1. Computational and Synthetic Chemistry Lab, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, VNS Group of Institutions, Bhopal, India

2. Department of Biochemical Engineering and Biotechnology, Indian Institute of Technology, Delhi, New Delhi, India

3. Department of Botany, Shaheed Mangal Pandey Govt. P.G. College, Madhavpurum, Meerut, India

4. Department of Biophysics, All India Institute of Medical Sciences, New Delhi, India

5. Department of Botany, CCS University, Meerut, Meerut, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1829501

Reference60 articles.

1. Optimization of parameters for molecular dynamics simulation using smooth particle-mesh Ewald in GROMACS 4.5

2. Coronavirus Main Proteinase (3CL pro ) Structure: Basis for Design of Anti-SARS Drugs

3. The SARS-coronavirus papain-like protease: Structure, function and inhibition by designed antiviral compounds

4. Molecular dynamics with coupling to an external bath

5. Molecular Recognition and Docking Algorithms

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