In Silico Identification of New Anti-SARS-CoV-2 Main Protease (Mpro) Molecules with Pharmacokinetic Properties from Natural Sources Using Molecular Dynamics (MD) Simulations and Hierarchical Virtual Screening

Infectious agents such as SARS-CoV, MERS-CoV, and SARS-CoV-2 have emerged in recent years causing epidemics with high mortality rates. The quick development of novel therapeutic compounds is required in the fight against such pathogenic agents. Unfortunately, the traditional drug development methods...

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Bibliographic Details
Main Authors: Harrison Onyango, Patrick Odhiambo, David Angwenyi, Patrick Okoth
Format: Article
Language:English
Published: Wiley 2022-01-01
Series:Journal of Tropical Medicine
Online Access:http://dx.doi.org/10.1155/2022/3697498
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