Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking, molecular dynamics and binding free energy simulation study-Reference-Cited by-同舟云学术

Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking, molecular dynamics and binding free energy simulation study

Published:2020-07-06 Issue:15 Volume:39 Page:5368-5375
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Ancy Iruthayaraj¹,Sivanandam Mugudeeswaran¹,Kumaradhas Poomani¹

Affiliation:

1. Laboratory of Biocrystallography and Computational Molecular Biology, Department of Physics, Periyar University, Salem, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1786459

Reference52 articles.

1. Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations

2. Repurposing of chloroquine and some clinically approved antiviral drugs as effective therapeutics to prevent cellular entry and replication of coronavirus

3. Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2

4. Adaptive stochastic methods for sampling driven molecular systems

5. Identification of Novel Inhibitors of the SARS Coronavirus Main Protease 3CLpro

Cited by 24 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Purification approaches, identification methods and computational tools for bacterial proteases;Biocatalysis and Agricultural Biotechnology;2024-06

2. Computational Estimation of Residues Involving Resistance to the SARS-CoV-2 Main Protease Inhibitor Ensitrelvir Based on Virtual Alanine Scan of the Active Site;Biological and Pharmaceutical Bulletin;2024-05-17

3. The design of compounds with desirable properties – The anti‐ HIV case study;Journal of Computational Chemistry;2022-12-19

4. HIV and SARS-CoV-2 Co-Infection: From Population Study Evidence to In Vitro Studies;Life;2022-12-13

5. Dynamics and binding affinity of nucleoside and non-nucleoside inhibitors with RdRp of SARS-CoV-2: a molecular screening, docking, and molecular dynamics simulation study;Journal of Biomolecular Structure and Dynamics;2022-12-12