Multi-Step In Silico Discovery of Natural Drugs against COVID-19 Targeting Main Protease

Multi-Step In Silico Discovery of Natural Drugs against COVID-19 Targeting Main Protease

In continuation of our antecedent work against COVID-19, three natural compounds, namely, Luteoside C (<b>130</b>), Kahalalide E (<b>184</b>), and Streptovaricin B (<b>278</b>) were determined as the most promising SARS-CoV-2 main protease (M<sup>pro</sup...

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Bibliographic Details
Main Authors: Eslam B. Elkaeed, Fadia S. Youssef, Ibrahim H. Eissa, Hazem Elkady, Aisha A. Alsfouk, Mohamed L. Ashour, Mahmoud A. El Hassab, Sahar M. Abou-Seri, Ahmed M. Metwaly
Format: Article
Language:English
Published: MDPI AG 2022-06-01
Series:International Journal of Molecular Sciences
Subjects:
COVID-19
main protease
molecular fingerprints
structural similarity
docking
MD simulations
Online Access:https://www.mdpi.com/1422-0067/23/13/6912

Internet

https://www.mdpi.com/1422-0067/23/13/6912

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