Virtual Screening of Natural Compounds as Potential SARS-CoV-2 Main Protease Inhibitors: A Molecular Docking and Molecular Dynamics Simulation Guided Approach-Reference-Cited by-同舟云学术

Virtual Screening of Natural Compounds as Potential SARS-CoV-2 Main Protease Inhibitors: A Molecular Docking and Molecular Dynamics Simulation Guided Approach

Published:2023-11-15 Issue: Volume: Page:
ISSN:
Container-title:ECSOC 2023
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Author:

Lokwani Deepak K.¹^ORCID,Chavan Sangita R.¹,Sarkate Aniket P.²,Natarajan Prabhu M.³^ORCID,Umapathy Vidhya R.⁴^ORCID,Jain Shirish P.¹

Affiliation:

1. Department of Pharmaceutical Chemistry, Rajarshi Shahu College of Pharmacy, Buldhana 443001, India

2. Department of Chemical Technology, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad 431004, India

3. Department of Clinical Sciences, Center of Medical and Bio-Allied Health Sciences and Research, College of Dentistry, Ajman University, Ajman P.O. Box 346, United Arab Emirates

4. Department of Public Health Dentistry, Thai Moogambigai Dental College and Hospital, Chennai 600107, India

Publisher

MDPI

Link

https://www.mdpi.com/2673-4583/14/1/85/pdf

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2. COVID-19 Therapeutics: Small-Molecule Drug Development Targeting SARS-CoV-2 Main Protease;Kronenberger;Drug Discov. Today,2023

3. Modern Drug Discovery Applications for the Identification of Novel Candidates for COVID-19 Infections;Rani;Ann. Med. Surg.,2022

4. Das, A.P., and Agarwal, S.M. (2023). Recent Advances in the Area of Plant-Based Anti-Cancer Drug Discovery Using Computational Approaches. Mol. Divers., 1–25.

5. Lessons Learned in Empirical Scoring with Smina from the CSAR 2011 Benchmarking Exercise;Koes;J. Chem. Inf. Model.,2013

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