Computational studies on potential new anti-Covid-19 agents with a multi-target mode of action

Computational studies on potential new anti-Covid-19 agents with a multi-target mode of action

A compound that could inhibit multiple targets associated with SARS-CoV-2 infection would prove to be a drug of choice against the virus. Human receptor-ACE2, receptor binding domain (RBD) of SARS-CoV-2 S-protein, Papain-like protein of SARS-CoV-2 (PLpro), reverse transcriptase of SARS-CoV-2 (RdRp)...

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Bibliographic Details
Main Authors: Ranjan K. Mohapatra, Mohammad Azam, Pranab K. Mohapatra, Ashish K. Sarangi, Mohnad Abdalla, Lina Perekhoda, Oval Yadav, Saud I. Al-Resayes, Kim Jong-Doo, Kuldeep Dhama, Azaj Ansari, Veronique Seidel, Sarika Verma, Mukesh K. Raval
Format: Article
Language:English
Published: Elsevier 2022-07-01
Series:Journal of King Saud University: Science
Subjects:
Molecular electrostatic potential
Frontiers molecular orbital
Natural bond orbital
Molecular docking
Molecular dynamics
Pharmacokinetics
Online Access:http://www.sciencedirect.com/science/article/pii/S1018364722002671

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http://www.sciencedirect.com/science/article/pii/S1018364722002671

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