A computational essential dynamics approach to investigate structural influences of ligand binding on Papain like protease from SARS-CoV-2-Reference-Cited by-同舟云学术

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A computational essential dynamics approach to investigate structural influences of ligand binding on Papain like protease from SARS-CoV-2

Published:2022-08 Issue: Volume:99 Page:107721
ISSN:1476-9271
Container-title:Computational Biology and Chemistry
language:en
Short-container-title:Computational Biology and Chemistry

Author:

Singh Ekampreet,Jha Rajat Kumar,Khan Rameez Jabeer,Kumar Ankit,Jain Monika,Muthukumaran Jayaraman,Singh Amit Kumar

Funder

Sharda University

Indian National Science Academy

Indian Council of Medical Research

Publisher

Elsevier BV

Subject

Computational Mathematics,Organic Chemistry,Biochemistry,Structural Biology

Reference40 articles.

1. Protease targeted COVID-19 drug discovery and its challenges: insight into viral main protease (Mpro) and papain-like protease (PLpro) inhibitors;Amin;Bioorg. Med. Chem.,2021

2. X-ray structural and biological evaluation of a series of potent and highly selective inhibitors of human coronavirus papain-like proteases;Baez-Santos;J. Med. Chem.,2014

3. The SARS-coronavirus papain-like protease: structure, function and inhibition by designed antiviral compounds;Baez-Santos;Antivir. Res.,2015

4. Emerging coronaviruses: genome structure, replication, and pathogenesis;Chen;J. Med. Virol.,2020

5. The species Severe acute respiratory syndrome-related coronavirus: classifying 2019-nCoV and naming it SARS-CoV-2;Coronaviridae Study Group of the International Committee on Taxonomy of Viruses;Nat. Microbiol.,2020

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