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Olive-Derived Triterpenes Suppress SARS COV-2 Main Protease: A Promising Scaffold for Future Therapeutics by Hani A. Alhadrami; Ahmed M. Sayed; Ahmed M. Sharif; Esam I. Azhar; Mostafa E. Rateb is a Chemistry article available to read on EtoBox.

What is Olive-Derived Triterpenes Suppress SARS COV-2 Main Protease: A Promising Scaffold for Future Therapeutics about?

SARS CoV-2 pandemic is still considered a global health disaster, and newly emerged variants keep growing. A number of promising vaccines have been recently developed as a protective measure; however, cost-effective treatments are also of great importance to support this critical situation. Previously, betulinic acid has shown promising antiviral activity against SARS CoV via targeting its main protease. Herein, we investigated the inhibitory potential of this compound together with three other triterpene congeners (i.e., ursolic acid, maslinic acid, and betulin) derived from olive leaves against the viral main protease (M^pro^) of the currently widespread SARS CoV-2. Interestingly, betulinic, ursolic, and maslinic acids showed significant inhibitory activity (IC~50~ = 3.22–14.55 μM), while betulin was far less active (IC~50~ = 89.67 μM). A comprehensive in-silico analysis (i.e., ensemble docking, molecular dynamic simulation, and binding-free energy calculation) was then performed to describe the binding mode of these compounds with the enzyme catalytic active site and determine the main essential structural features required for their inhibitory activity. Results presented in thi

Who reads Olive-Derived Triterpenes Suppress SARS COV-2 Main Protease: A Promising Scaffold for Future Therapeutics?

Author

Hani A. Alhadrami; Ahmed M. Sayed; Ahmed M. Sharif; Esam I. Azhar; Mostafa E. Rateb

Publisher

MDPI AG

Published

2021

Language

EN

Field

Chemistry (Life Sciences)