2,202
Views
19
CrossRef citations to date
0
Altmetric
Research Articles

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

, &
Pages 5368-5375 | Received 28 Apr 2020, Accepted 18 Jun 2020, Published online: 06 Jul 2020

Keep up to date with the latest research on this topic with citation updates for this article.

Read on this site (5)

Archana Chinnamadhu, Jaganathan Ramakrishnan, Suganya Suresh, Prakash Ramadurai & Kumaradhas Poomani. (2023) 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 41:20, pages 10396-10410.
Read now
Vishal K. Singh, Himani Chaurasia, Priyanka Kumari, Anup Som, Richa Mishra, Ritika Srivastava, Farha Naaz, Anuradha Singh & Ramendra K. Singh. (2022) Design, synthesis, and molecular dynamics simulation studies of quinoline derivatives as protease inhibitors against SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 40:21, pages 10519-10542.
Read now
Y.X. Yu, W. Wang, H.B. Sun, L.L. Zhang, L.F. Wang & Y.Y. Yin. (2022) Decoding drug resistant mechanism of V32I, I50V and I84V mutations of HIV-1 protease on amprenavir binding by using molecular dynamics simulations and MM-GBSA calculations. SAR and QSAR in Environmental Research 33:10, pages 805-831.
Read now
Farwa Batool, Ehsan Ullah Mughal, Komal Zia, Amina Sadiq, Nafeesa Naeem, Asif Javid, Zaheer Ul-Haq & Muhammad Saeed. (2022) Synthetic flavonoids as potential antiviral agents against SARS-CoV-2 main protease. Journal of Biomolecular Structure and Dynamics 40:8, pages 3777-3788.
Read now
Yasmine M. Mandour, Darius P. Zlotos & M. Alaraby Salem. (2022) A multi-stage virtual screening of FDA-approved drugs reveals potential inhibitors of SARS-CoV-2 main protease. Journal of Biomolecular Structure and Dynamics 40:5, pages 2327-2338.
Read now

Articles from other publishers (14)

Jurica Novak, Prateek Pathak, Maria A. Grishina & Vladimir A. Potemkin. (2022) The design of compounds with desirable properties – The anti‐ HIV case study . Journal of Computational Chemistry 44:10, pages 1016-1030.
Crossref
Chiara Stefani, Tobia Fantoni, Michele Bissoli, Jordan Thomas & Alessandra Ruggiero. (2022) HIV and SARS-CoV-2 Co-Infection: From Population Study Evidence to In Vitro Studies. Life 12:12, pages 2089.
Crossref
Jacob Andrzejczyk, Katarina Jovic, Logan M. Brown, Valerie G. Pascetta, Krisztina Varga & Harish Vashisth. (2022) Molecular interactions and inhibition of the SARS‐CoV‐2 main protease by a thiadiazolidinone derivative. Proteins: Structure, Function, and Bioinformatics 90:11, pages 1896-1907.
Crossref
Sarah Mousavi, Shima Zare, Mahmoud Mirzaei & Awat Feizi. (2022) Novel Drug Design for Treatment of COVID-19: A Systematic Review of Preclinical Studies. Canadian Journal of Infectious Diseases and Medical Microbiology 2022, pages 1-70.
Crossref
Kaifu Gao, Rui Wang, Jiahui Chen, Limei Cheng, Jaclyn Frishcosy, Yuta Huzumi, Yuchi Qiu, Tom Schluckbier, Xiaoqi Wei & Guo-Wei Wei. (2022) Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2. Chemical Reviews 122:13, pages 11287-11368.
Crossref
Mohamed Fadlalla, Mazin Ahmed, Musab Ali, Abdulrhman A. Elshiekh & Bashir A. Yousef. (2022) Molecular Docking as a Potential Approach in Repurposing Drugs Against COVID-19: a Systematic Review and Novel Pharmacophore Models. Current Pharmacology Reports 8:3, pages 212-226.
Crossref
Linda Sukmarini. (2022) Antiviral Peptides (AVPs) of Marine Origin as Propitious Therapeutic Drug Candidates for the Treatment of Human Viruses. Molecules 27:9, pages 2619.
Crossref
Amit Lochab, Rakhi Thareja, Sangeeta D. Gadre & Reena Saxena. (2021) Potential Protein and Enzyme Targets for In‐silico Development and Repurposing of Drug Against Coronaviruses. ChemistrySelect 6:46, pages 13363-13381.
Crossref
Ranjan K. Mohapatra, Kuldeep Dhama, Amr Ahmed El–Arabey, Ashish K. Sarangi, Ruchi Tiwari, Talha Bin Emran, Mohammad Azam, Saud I. Al-Resayes, Mukesh K. Raval, Veronique Seidel & Mohnad Abdalla. (2021) Repurposing benzimidazole and benzothiazole derivatives as potential inhibitors of SARS-CoV-2: DFT, QSAR, molecular docking, molecular dynamics simulation, and in-silico pharmacokinetic and toxicity studies. Journal of King Saud University - Science 33:8, pages 101637.
Crossref
Jahangir Emrani, Maryam Ahmed, Liesl Jeffers-Francis, John C. Teleha, Nathan Mowa, Robert H. Newman & Misty D. Thomas. (2021) SARS-COV-2, infection, transmission, transcription, translation, proteins, and treatment: A review. International Journal of Biological Macromolecules 193, pages 1249-1273.
Crossref
Alireza Mohebbi, Fatemeh Sana Askari, Ali Salehnia Sammak, Mohsen Ebrahimi & Zahra Najafimemar. (2021) Druggability of cavity pockets within SARS-CoV-2 spike glycoprotein and pharmacophore-based drug discovery. Future Virology 16:6, pages 389-397.
Crossref
Mahmoud A. A. Ibrahim, Alaa H. M. Abdelrahman, Khaled S. Allemailem, Ahmad Almatroudi, Mahmoud F. Moustafa & Mohamed-Elamir F. Hegazy. (2021) In Silico Evaluation of Prospective Anti-COVID-19 Drug Candidates as Potential SARS-CoV-2 Main Protease Inhibitors. The Protein Journal 40:3, pages 296-309.
Crossref
Serena Dotolo, Anna Marabotti, Angelo Facchiano & Roberto Tagliaferri. (2021) A review on drug repurposing applicable to COVID-19. Briefings in Bioinformatics 22:2, pages 726-741.
Crossref
Antonio Francés-Monerris, Cécilia Hognon, Tom Miclot, Cristina García-Iriepa, Isabel Iriepa, Alessio Terenzi, Stéphanie Grandemange, Giampaolo Barone, Marco Marazzi & Antonio Monari. (2020) Molecular Basis of SARS-CoV-2 Infection and Rational Design of Potential Antiviral Agents: Modeling and Simulation Approaches. Journal of Proteome Research 19:11, pages 4291-4315.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.