Application of ensemble pharmacophore-based virtual screening to the discovery of novel antimitotic tubulin inhibitors

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Gallego et al.2021.Application of ensemble pharmacophore-based virtual screening to the discovery of novel antimitotic tubulin inhibitors.pdf (2.69 MB)

Date

2021-08-03

Document type

Artículo

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Investigación
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Authors

Gallego Yerga, Laura., Ochoa, Rodrigo, Lans, Isaías, Peña Varas, Carlos., Alegría Arcos, Melissa Constanza., Cossio, Pilar, Ramírez, David, Peláez, Rafael

Faculty

Facultad de Ingeniería y Negocios

Publisher

Elsevier

URI

http://repositorio.udla.cl/xmlui/handle/udla/1107, https://www.journals.elsevier.com/computational-and-structural-biotechnology-journal

DOI

https://doi.org/10.1016/j.csbj.2021.07.039

Keywords

Antimitotic, Drug design, Ensemble pharmacophore, Tubulin, Virtual screening

Citation

Computational and Structural Biotechnology Journal, 19, 4360-4372.

Extent

13 páginas
2.687Mb

Abstract

Tubulin is a well-validated target for herbicides, fungicides, anti-parasitic, and anti-tumor drugs. Many of the non-cancer tubulin drugs bind to its colchicine site but no colchicine-site anticancer ...

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