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

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194-Unveiling Novel.pdf (2.55 MB)

Date

2024-02-06

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journal article

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Investigación
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Authors

Valenzuela-Hormazábal, Paulina, Sepulveda, Romina V., Alegría-Arcos, Melissa, Valdes-Munoz, Elizabeth, Rojas-Perez, Víctor, Gonzalez-Bonet, Ileana, Suardiaz, Reynier, Galarza, Christian, Morales, Natalia, Leddermann, Veronica, Castro, Ricardo I., Benso, Bruna, Urra, Gabriela, Hernández-Rodríguez, Erix W., Bustos, Daniel

Publisher

MDPI AG

URI

https://repositorio.udla.cl/handle/udla/1746

DOI

https://doi.org/10.3390/ijms25041968

Keywords

computer-aided drug design, structure-based virtual screening, pharmacophore-based virtual screening, molecular dynamics simulations, ADMET, urease, Helicobacter pylori

Citation

International Journal of Molecular Sciences, 25(4), 1968. https://doi.org/10.3390/ijms25041968

Abstract

Helicobacter pylori (Hp) infections pose a global health challenge demanding innovative therapeutic strategies by which to eradicate them. Urease, a key Hp virulence factor hydrolyzes urea, facilitati...

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Creative Commons Attribution 4.0 International
Except where otherwised noted, this item's license is described as Creative Commons Attribution 4.0 International
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