Virtual screening and molecular dynamics simulation analysis of Forsythoside A as a plant-derived inhibitor of SARS-CoV-2 3CLpro

Virtual screening and molecular dynamics simulation analysis of Forsythoside A as a plant-derived inhibitor of SARS-CoV-2 3CLpro

Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is a more severe strain of coronavirus (CoV) that was first emerged in China in 2019. Available antiviral drugs could be repurposed and natural compounds with antiviral activity could be safer and cheaper source of medicine for SARS-CoV-2....

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Bibliographic Details
Main Authors: Shabana Bibi, Muhammad Saad Khan, Sherif A. El-Kafrawy, Thamir A. Alandijany, Mai M. El-Daly, Qudsia Yousafi, Dua Fatima, Arwa A. Faizo, Leena H. Bajrai, Esam I. Azhar
Format: Article
Language:English
Published: Elsevier 2022-07-01
Series:Saudi Pharmaceutical Journal
Subjects:
COVID-19
Coronavirus
Molecular dynamic simulation
Molecular docking
ADMET
Natural compounds
Online Access:http://www.sciencedirect.com/science/article/pii/S1319016422001293

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