Binding and inhibitory effect of ravidasvir on 3CLpro of SARS-CoV‐2: a molecular docking, molecular dynamics and MM/PBSA approach-Reference-Cited by-同舟云学术

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Binding and inhibitory effect of ravidasvir on 3CLpro of SARS-CoV‐2: a molecular docking, molecular dynamics and MM/PBSA approach

Published:2021-03-08 Issue: Volume: Page:1-8
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Bera Krishnendu¹²^ORCID

Affiliation:

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

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

Funder

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

CESNET

CERIT Scientific Cloud

MEYS CR

IT4Innovations National Supercomputing Center

Brno PhD. Talent Scholarship

Brno City Municipality, Brno, Czech Republic

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2021.1896388

Reference48 articles.

1. Similarities between the effect of SARS-CoV-2 and HCV on the cellular level, and the possible role of ion channels in COVID19 progression: a review of potential targets for diagnosis and treatment

2. Essential dynamics of proteins

3. The proximal origin of SARS-CoV-2

4. In silico identification of strong binders of the SARS-CoV-2 receptor-binding domain

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3. Screening of potent inhibitor from Aquilaria malaccensis Lam. against arachidonic inflammatory enzymes: an insight from molecular docking, ADMET, molecular dynamics simulation and MM-PBSA approaches;Journal of Biomolecular Structure and Dynamics;2023-10-26

4. Unveiling the antiviral potential of Plant compounds from the Meliaceae family against the Zika virus through QSAR modeling and MD simulation analysis;Journal of Biomolecular Structure and Dynamics;2023-09-20

5. Computational screening and MM/GBSA-based MD simulation studies reveal the high binding potential of FDA-approved drugs againstCutibacterium acnessialidase;Journal of Biomolecular Structure and Dynamics;2023-08-07

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