Structure-Based Optimization of Carbendazim-Derived Tubulin Polymerization Inhibitors through Alchemical Free Energy Calculations-Reference-Cited by-同舟云学术

Structure-Based Optimization of Carbendazim-Derived Tubulin Polymerization Inhibitors through Alchemical Free Energy Calculations

Published:2023-11-10 Issue:22 Volume:63 Page:7228-7238
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Cano-González Lucia¹,Espinosa-Mendoza Johan D.¹,Matadamas-Martínez Félix²,Romero-Velásquez Ariana³,Flores-Ramos Miguel⁴,Colorado-Pablo Luis Fernando¹,Cerbón-Cervantes Marco Antonio³,Castillo Rafael¹,González-Sánchez Ignacio³,Yépez-Mulia Lilián²,Hernández-Campos Alicia¹,Aguayo-Ortiz Rodrigo¹^ORCID

Affiliation:

1. Departamento de Farmacia, Facultad de Química, Universidad Nacional Autónoma de México, Mexico City 04510, Mexico

2. Unidad de Investigación Médica en Enfermedades Infecciosas y Parasitarias, UMAE Hospital de Pediatría, Centro Médico Nacional Siglo XXI, Instituto Mexicano del Seguro Social, Mexico City 06720, Mexico

3. Departamento de Biología, Facultad de Química, Universidad Nacional Autónoma de México, Mexico City 04510, Mexico

4. Escuela Nacional de Estudios Superiores, Unidad Mérida, Universidad Nacional Autónoma de México, Yucatán 97357, Mexico

Funder

Universidad Nacional Aut??noma de M??xico

Consejo Nacional de Ciencia y Tecnolog??a

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01379

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