Neoechinulin A as a Promising SARS-CoV-2 M<sup>pro</sup> Inhibitor: In Vitro and In Silico Study Showing the Ability of Simulations in Discerning Active from Inactive Enzyme Inhibitors

Neoechinulin A as a Promising SARS-CoV-2 M<sup>pro</sup> Inhibitor: In Vitro and In Silico Study Showing the Ability of Simulations in Discerning Active from Inactive Enzyme Inhibitors

The COVID-19 pandemic and its continuing emerging variants emphasize the need to discover appropriate treatment, where vaccines alone have failed to show complete protection against the new variants of the virus. Therefore, treatment of the infected cases is critical. This paper discusses the bio-gu...

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Bibliographic Details
Main Authors: Hani A. Alhadrami, Gaia Burgio, Bathini Thissera, Raha Orfali, Suzan E. Jiffri, Mohammed Yaseen, Ahmed M. Sayed, Mostafa E. Rateb
Format: Article
Language:English
Published: MDPI AG 2022-02-01
Series:Marine Drugs
Subjects:
SARS-CoV-2 M<sup>pro</sup>
neoechinulin A
<i>Aspergillus fumigatus</i>
molecular docking
steered molecular dynamics simulation
Online Access:https://www.mdpi.com/1660-3397/20/3/163

Internet

https://www.mdpi.com/1660-3397/20/3/163

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