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

2021-01

Document type

journal article

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Investigación
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Authors

Gallego-Yerga, Laura, Ochoa, Rodrigo, Lans, Isaias, Pena-Varas, Carlos, Alegría-Arcos, Melissa, Cossio, Pilar, Ramírez, David, Pelaez, Rafael

Publisher

American Association for the Advancement of Science (AAAS)

URI

https://repositorio.udla.cl/handle/udla/1107

DOI

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

Keywords

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

Citation

Computational and Structural Biotechnology Journal, 19, 4360-4372. https://doi.org/10.1016/j.csbj.2021.07.039

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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