Identification of structural scaffold from interbioscreen (IBS) database to inhibit 3CLpro, PLpro, and RdRp of SARS-CoV-2 using molecular docking and dynamic simulation studies-Reference-Cited by-同舟云学术

Identification of structural scaffold from interbioscreen (IBS) database to inhibit 3CLpro, PLpro, and RdRp of SARS-CoV-2 using molecular docking and dynamic simulation studies

Published:2023-02-09 Issue: Volume: Page:1-12
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Patil Vikas R.¹^ORCID,Dhote Ashish M.¹^ORCID,Patil Rina¹,Amnerkar Nikhil D.²^ORCID,Lokwani Deepak K.³^ORCID,Ugale Vinod G.¹^ORCID,Charbe Nitin B.⁴^ORCID,Firke Sandip D.¹^ORCID,Chaudhari Prashant¹^ORCID,Shah Sapan K.⁵^ORCID,Mehta Chetan H.⁶^ORCID,Nayak Usha Y.⁶^ORCID,Khadse Saurabh C.¹^ORCID

Affiliation:

1. Department of Pharmaceutical Chemistry, R. C. Patel Institute of Pharmaceutical Education and Research, Karvand Naka Shirpur, Dist. Dhule, Maharashtra, India

2. Department of Pharmaceutical Chemistry, Adv. V. R. Manohar Institute of Diploma in Pharmacy (Govt.-Aided), Nagpur, Nagpur, Maharashtra, India

3. Department of Pharmaceutical Chemistry, Rajarshi Shahu College of Pharmacy, Buldana, Maharashtra, India

4. Center for Pharmacometrics and Systems Pharmacology, Department of Pharmaceutics, College of Pharmacy, University of Florida, Orlando, Florida, USA

5. Department of Pharmaceutical Chemistry, Priyadarshini J. L. College of Pharmacy, Nagpur, Maharashtra, India

6. Department of Pharmaceutics, Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education, Manipal, Karnataka, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2175377

Reference44 articles.

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

2. Identification of bioactive molecules from tea plant as SARS-CoV-2 main protease inhibitors

3. Managing protein flexibility in docking and its applications

4. Targeting SARS-CoV-2 Proteases and Polymerase for COVID-19 Treatment: State of the Art and Future Opportunities

5. Genomic characterization of the 2019 novel human-pathogenic coronavirus isolated from a patient with atypical pneumonia after visiting Wuhan

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