The anticoagulant potential of Lippia Alba extract in inhibiting SARS-CoV-2 Mpro: Density functional calculation, molecular docking analysis, and molecular dynamics simulations

The anticoagulant potential of Lippia Alba extract in inhibiting SARS-CoV-2 Mpro: Density functional calculation, molecular docking analysis, and molecular dynamics simulations

Lippia Alba, a plant commonly utilized in traditional folk medicine, particularly in Brazil, is renowned for its essential oil possessing anti-inflammatory, antibacterial, anesthetic, and antiviral properties. In this study, we conducted molecular analysis, density function calculations, and molecul...

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Bibliographic Details
Main Authors: Imane Yamari, Oussama Abchir, Farhan Siddique, Hanane Zaki, Abdelkbir Errougui, Mohammed Talbi, Mohammed Bouachrine, M'hammed ElKouali, Samir Chtita
Format: Article
Language:English
Published: Elsevier 2024-03-01
Series:Scientific African
Subjects:
Anticoagulant
SARS-CoV-2
Molecular docking
DFT
Molecular dynamics simulation
Online Access:http://www.sciencedirect.com/science/article/pii/S2468227623004404

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http://www.sciencedirect.com/science/article/pii/S2468227623004404

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