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

Document type

Artículo

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Investigación
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Authors

Valenzuela Hormazábal, Paulina., Sepúlveda, Romina V., Alegría Arcos, Melissa Constanza., Valdés Muñoz, Elizabeth., Rojas Pérez, Víctor., González Bonet, Ileana., Suardíaz, Reynier, Galarza, Christian, Morales, Natalia, Leddermann, Verónica, Castro, Ricardo I., Bruna, Benso, Urra, Gabriela, Hernández Rodríguez, Erix W., Bustos, Daniel

Program

Ingeniería de ejecución industrial

Faculty

Facultad de Ingeniería y Negocios

Publisher

MDPI

URI

http://repositorio.udla.cl/xmlui/handle/udla/1746, https://www.mdpi.com/journal/ijms

DOI

10.3390/ijms25041968

Keywords

ADMET, Computer-aided drug design, Pharmacophore-based virtual screening, Structure-based virtual screening

Citation

International Journal of Molecular Sciences, 25(4), 17 p.

Extent

17 páginas
2.549Mb

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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