Identification of natural compounds as potent inhibitors of SARS-CoV-2 main protease using combined docking and molecular dynamics simulations

Identification of natural compounds as potent inhibitors of SARS-CoV-2 main protease using combined docking and molecular dynamics simulations

Coronavirus disease 2019 (COVID-19) has emerged from China and globally affected the entire population through the human-to-human transmission of a newly emerged virus called severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The genome of SARS-CoV-2 encodes several proteins that are esse...

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Bibliographic Details
Main Authors: Deeba Shamim Jairajpuri, Afzal Hussain, Khalida Nasreen, Taj Mohammad, Farah Anjum, Md. Tabish Rehman, Gulam Mustafa Hasan, Mohamed F. Alajmi, Md. Imtaiyaz Hassan
Format: Article
Language:English
Published: Elsevier 2021-04-01
Series:Saudi Journal of Biological Sciences
Subjects:
SARS-CoV-2 main protease
Natural compounds
Drug discovery
Virtual high-throughput screening
Molecular dynamics simulation
Small molecule inhibitors
Online Access:http://www.sciencedirect.com/science/article/pii/S1319562X21000401

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http://www.sciencedirect.com/science/article/pii/S1319562X21000401

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