Unveiling Novel Urease Inhibitors for <i>Helicobacter pylori</i>: A Multi-Methodological Approach from Virtual Screening and ADME to Molecular Dynamics Simulations

Unveiling Novel Urease Inhibitors for <i>Helicobacter pylori</i>: A Multi-Methodological Approach from Virtual Screening and ADME to Molecular Dynamics Simulations

<i>Helicobacter pylori</i> (<i>Hp</i>) infections pose a global health challenge demanding innovative therapeutic strategies by which to eradicate them. Urease, a key <i>Hp</i> virulence factor hydrolyzes urea, facilitating bacterial survival in the acidic gastric...

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Bibliographic Details
Main Authors: Paulina Valenzuela-Hormazabal, Romina V. Sepúlveda, Melissa Alegría-Arcos, Elizabeth Valdés-Muñoz, Víctor Rojas-Pérez, Ileana González-Bonet, Reynier Suardíaz, Christian Galarza, Natalia Morales, Verónica Leddermann, Ricardo I. Castro, Bruna Benso, Gabriela Urra, Erix W. Hernández-Rodríguez, Daniel Bustos
Format: Article
Language:English
Published: MDPI AG 2024-02-01
Series:International Journal of Molecular Sciences
Subjects:
computer-aided drug design
structure-based virtual screening
pharmacophore-based virtual screening
molecular dynamics simulations
ADMET
urease
Online Access:https://www.mdpi.com/1422-0067/25/4/1968

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https://www.mdpi.com/1422-0067/25/4/1968

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