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Polyphenols as Potential β-Lactamase Inhibitors: An Integrated Computational and Experimental Study

The production of β-lactamases is the main mechanism underlying carbapenem resistance. This study combined in silico and in vitro approaches to identify potential polyphenols as carbapenemase inhibitors. Molecular docking, molecular dynamics, and ADMET prediction were performed to assess the binding...

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Principais autores: Fatima Mourabiti, Fatimazahra Jouga, Lorena G. Calvo, Rosa-Antía Villarino, Yassine Zouheir, Abdelaziz Soukri, Trinidad de Miguel, Bouchra El Khalfi
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI AG 2025-11-01
coleção:Molecules
Assuntos:
carbapenemases
in silico
molecular docking
Gram-negative bacteria
β-lactamases inhibition
antibiotic potentiation
Acesso em linha:https://www.mdpi.com/1420-3049/30/22/4416
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