An in silico molecular dynamics simulation study on the inhibitors of SARS-CoV-2 proteases (3CLpro and PLpro) to combat COVID-19-Reference-Cited by-同舟云学术

An in silico molecular dynamics simulation study on the inhibitors of SARS-CoV-2 proteases (3CLpro and PLpro) to combat COVID-19

Published:2021-07-26 Issue:14 Volume:47 Page:1168-1184
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

Bera Krishnendu¹²^ORCID,Reeda V. S. Jeba³,Babila P. R.⁴^ORCID,Dinesh Dhurvas Chandrasekaran⁵^ORCID,Hritz Jozef²⁶,Karthick T.⁷^ORCID

Affiliation:

1. CEITEC MU, Masaryk University, Brno, Czech Republic

2. National Centre for Biomolecular Research, Faculty of Science, Masaryk University, Brno, Czech Republic

3. Department of Physics and Research Center, Women's Christian College, Nagercoil, India (Affiliated to Manonmaniam Sundaranar University, Tirunelveli, India)

4. Department of Physics and Research Centre, Muslim Arts College, Thiruvithancode, India (Affiliated to Manonmaniam Sundaranar University, Tirunelveli, India)

5. Institute of Organic Chemistry and Biochemistry AS CR, Prague, Czech Republic

6. Department of Chemistry, Faculty of Science, Masaryk University, Brno, Czech Republic

7. Department of Physics, School of Electrical and Electronics Engineering, SASTRA Deemed University, Thanjavur, India

Funder

Department of Science and Technology, New Delhi

Czech Academy of Sciences

Ministry of Education, Youth, and Sport of the Czech Republic

Brno City Municipality

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modelling and Simulation,Information Systems,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/08927022.2021.1957884

Reference45 articles.

1. The continuing 2019-nCoV epidemic threat of novel coronaviruses to global health — The latest 2019 novel coronavirus outbreak in Wuhan, China

2. WHO (OMS). COVID-19 weekly epidemiological update. 2021 May 25. Available from: file:///C:/Users/HP%20Lap/Downloads/20210525_Weekly_Epi_Update_41.pdf.

3. Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants

4. Structural View and Substrate Specificity of Papain-like Protease from Avian Infectious Bronchitis Virus

5. Identification of Severe Acute Respiratory Syndrome Coronavirus Replicase Products and Characterization of Papain-Like Protease Activity

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