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Cardiovascular & Hematological Disorders-Drug Targets


ISSN (Print): 1871-529X
ISSN (Online): 2212-4063

Research Article

In silico Evaluation of ACE2 Inhibition by Prunus armeniaca L. and in vivo Toxicity Study

Author(s): Ismail Bouadid, Soumia Moujane, Mourad Akdad, Moualij Benaissa and Mohamed Eddouks*

Volume 23, Issue 4, 2023

Published on: 14 December, 2023

Page: [246 - 255] Pages: 10

DOI: 10.2174/011871529X265182231211103724

Price: $65


Background: SARS-CoV-2 is a virus that uses ACE2 to enter the host cell.

Aims and Objectives: This study aimed to evaluate the in silico inhibitory activity of polyphenols from Prunus armeniaca (P. armeniaca) on angiotensin-converting enzyme 2 (ACE2).

Methods: The efficacy of phytocompounds from P. armeniaca in inhibiting ACE2 was tested through molecular docking and dynamic analyses. The toxicological analysis of P. armeniaca was also evaluated.

Results: A total of twenty polyphenols were docked against the ACE2 active site, and four compounds showed interesting profiles. In vivo acute toxicity study demonstrated that the aqueous extract of Prunus armeniaca was safe.

Conclusion: Four compounds from Prunus armeniaca seem to exert an inhibitory potential of ACE2.

Keywords: SARS-CoV-2, ACE2, Prunus armeniaca L., molecular docking, molecular dynamic simulation, toxicity.

Graphical Abstract
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