In Silico Evaluation of Sesquiterpenes and Benzoxazinoids Phytotoxins against M<sup>pro</sup>, RNA Replicase and Spike Protein of SARS-CoV-2 by Molecular Dynamics. Inspired by Nature

In Silico Evaluation of Sesquiterpenes and Benzoxazinoids Phytotoxins against M<sup>pro</sup>, RNA Replicase and Spike Protein of SARS-CoV-2 by Molecular Dynamics. Inspired by Nature

In the work described here, a number of sesquiterpenes and benzoxazinoids from natural sources, along with their easily accessible derivatives, were evaluated against the main protease, RNA replicase and spike glycoprotein of SARS-CoV-2 by molecular docking. These natural products and their derivati...

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Bibliographic Details
Main Authors: Francisco J. R. Mejías, Alexandra G. Durán, Nuria Chinchilla, Rosa M. Varela, José A. Álvarez, José M. G. Molinillo, Francisco García-Cozar, Francisco A. Macías
Format: Article
Language:English
Published: MDPI AG 2022-08-01
Series:Toxins
Subjects:
molecular dynamics
docking
SARS-CoV-2
COVID-19
sesquiterpene
benzoxazinoid
Online Access:https://www.mdpi.com/2072-6651/14/9/599

Internet

https://www.mdpi.com/2072-6651/14/9/599

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