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Integrated computational modeling of chalcone-based inhibitors targeting carbonic anhydrase I and II: 3D-QSAR, molecular docking, and dynamics simulations

Crossref DOI link: https://doi.org/10.1007/s10822-026-00832-3

Published Online: 2026-05-14

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Soto, Mauricio

Cabezas, David

Stambuk, Felipe

González, Cesar

Acosta, Alison

Lorca, Marcos

Espinoza, Luis

Díaz, Katy

Olea, Andrés F.

Mellado, Marco https://orcid.org/0000-0001-9577-5180
Mella, Jaime https://orcid.org/0000-0002-2434-8461
Funding

Funding for this research was provided by:

Agencia Nacional de Investigación y Desarrollo (Convocatoria Nacional Subvención a Instalación en la Academia Convocatoria año 2021 Folio SA77210078)
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Text and Data Mining valid from 2026-05-14

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Article History

Received: 1 October 2025

Accepted: 2 May 2026

First Online: 14 May 2026

Declarations

:

: The authors declare no competing interests.

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