Promising antivirals for PLpro of SARS-CoV-2 using virtual screening, molecular docking, dynamics, and MMPBSA-Reference-Cited by-同舟云学术

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Promising antivirals for PLpro of SARS-CoV-2 using virtual screening, molecular docking, dynamics, and MMPBSA

Published:2022-05-05 Issue: Volume: Page:1-17
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Kumari Reena¹,Kumar Viney²,Dhankhar Poonam³^ORCID,Dalal Vikram⁴^ORCID

Affiliation:

1. Department of Mathematics and Statistics, Swami Vivekanand Subharti University, Meerut, India

2. Department of Biosciences and Bioengineering, Indian Institute of Technology Roorkee, India

3. Department of Medicinal Chemistry, Virginia Commonwealth University, Richmond, VA, USA

4. Department of Anesthesiology, Washington University in St. Louis, St. Louis MO, USA

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2022.2071340

Reference74 articles.

1. Arya, R., Das, A., Prashar, V. & Kumar, M. (2020). Potential inhibitors against papain-like protease of novel coronavirus (COVID-19) from FDA approved drugs. https://doi.org/10.26434/chemrxiv.11860011.v1

2. X-ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-like Proteases

3. The Papain-Like Protease of Severe Acute Respiratory Syndrome Coronavirus Has Deubiquitinating Activity

4. Molecular dynamics with coupling to an external bath

5. The Ubiquitin-Conjugating System: Multiple Roles in Viral Replication and Infection

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