Identification of synthetically tractable MERS-CoV main protease inhibitors using structure-based virtual screening and molecular dynamics potential of mean force (PMF) calculations-Reference-Cited by-同舟云学术

Identification of synthetically tractable MERS-CoV main protease inhibitors using structure-based virtual screening and molecular dynamics potential of mean force (PMF) calculations

Published:2023-11-18 Issue: Volume: Page:1-11
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Tripathi Shailesh Mani¹,Akash Shopnil²,Rahman Md Anisur³,Sundriyal Sandeep¹

Affiliation:

1. Department of Pharmacy, Birla Institute of Technology and Science Pilani, Rajasthan, India

2. Department of Pharmacy, Faculty of Allied Health Sciences, Daffodil International University, Ashulia, Bangladesh

3. Department of Pharmacy, Islamic University, Kushtia, Bangladesh

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2283780

Reference52 articles.

1. Antiviral drugs specific for coronaviruses in preclinical development

2. Concise synthesis of spergualin-inspired molecules with broad-spectrum antibiotic activity

3. The SARS-coronavirus papain-like protease: Structure, function and inhibition by designed antiviral compounds

4. Full-Genome Deep Sequencing and Phylogenetic Analysis of Novel Human Betacoronavirus

5. Middle East Respiratory Syndrome: Emergence of a Pathogenic Human Coronavirus

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