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Unveiling Moroccan Nature’s Arsenal: A Computational Molecular Docking, Density Functional Theory, and Molecular Dynamics Study of Natural Compounds against Drug-Resistant Fungal Infections

<i>Candida albicans</i> and <i>Aspergillus fumigatus</i> are recognized as significant fungal pathogens, responsible for various human infections. The rapid emergence of drug-resistant strains among these fungi requires the identification and development of innovative antifungal therapies. We undert...

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Principais autores: Imane Yamari, Oussama Abchir, Hassan Nour, Meriem Khedraoui, Bouchra Rossafi, Abdelkbir Errougui, Mohammed Talbi, Abdelouahid Samadi, MHammed El Kouali, Samir Chtita
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2024-07-01
Serier:Pharmaceuticals
Fag:
antifungal activity
molecular docking
dynamics simulation
Density Functional Theory
ADME-Toxicity
Online adgang:https://www.mdpi.com/1424-8247/17/7/886
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