Seeking Correlation Among Porin Permeabilities and Minimum Inhibitory Concentrations Through Machine Learning: A Promising Route to the Essential Molecular Descriptors

Seeking Correlation Among Porin Permeabilities and Minimum Inhibitory Concentrations Through Machine Learning: A Promising Route to the Essential Molecular Descriptors

Developing effective antibiotics against Gram-negative bacteria remains challenging due to their protective outer membrane. With this study, we investigated the relationship between antibiotic permeation through the OmpF porin of <i>Escherichia coli</i> and antimicrobial efficacy. We mea...

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Main Authors: Sara Boi, Silvia Puxeddu, Ilenia Delogu, Domenica Farci, Dario Piano, Aldo Manzin, Matteo Ceccarelli, Fabrizio Angius, Mariano Andrea Scorciapino, Stefan Milenkovic
Format: Article
Language:English
Published: MDPI AG 2025-03-01
Series:Molecules
Subjects:
antibiotics
drug design
artificial intelligence
infectious diseases
in silico screening
liposomes
Online Access:https://www.mdpi.com/1420-3049/30/6/1224
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