Synthesis, biological and computational evaluation of novel cyanomethyl vinyl ether derivatives
dc.contributor.author | Martín Encinas, Endika | |
dc.contributor.author | Fuertes Sánchez, María ![]() | |
dc.contributor.author | Delgado Hernández, Samuel | |
dc.contributor.author | García Tellado, Fernando | |
dc.contributor.author | Tejedor, David | |
dc.contributor.author | Alonso Pérez, Concepción Estibaliz ![]() | |
dc.date.accessioned | 2024-04-17T15:13:07Z | |
dc.date.available | 2024-04-17T15:13:07Z | |
dc.date.issued | 2024 | |
dc.identifier.citation | Frontiers in Pharmocology 15 : (2024) // Article ID 1344042 | es_ES |
dc.identifier.issn | 1663-9812 | |
dc.identifier.uri | http://hdl.handle.net/10810/66750 | |
dc.description.abstract | This work explores the biological evaluation of novel cyanomethyl vinyl ether derivatives as antiproliferative agents. Tubulin, crucial to microtubule structure and function, is a target for cancer therapies. In vitro cytotoxicity assessments revealed significant activity in SKOV3 ovarian carcinoma cells and A549 lung carcinoma cells. Structure-Activity Relationship (SAR) analysis indicated that the E isomer and specific substitutions influenced the biological activity. Computational assays predicted favorable ADME properties, highlighting potential as anticancerous agents. Molecular docking studies demonstrated that compound 12E, with the E geometry of the double bond and fused polyaromatic rings such as phenanthrene, has robust interaction with tubulin, suggesting enhanced stability due to diverse amino acid interactions. Comparative spatial distributions with colchicine further indicated potential mechanistic similarities. | es_ES |
dc.description.sponsorship | The author(s) declare financial support was received for the research, authorship, and/or publication of this article. Financial support from Grants PID2021-122558OB-I00, PID2022-136566NB-I00 and PDC2022-133706-I00 funded by MCIN/AEI/10.13039/501100011033 and by the “European Union Next GenerationEU/PRTR” and by the Basque Government (GV, IT1701-22) is gratefully acknowledged. | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | Frontiers Media | es_ES |
dc.relation | info:eu-repo/grantAgreement/MICINN/PID2021-122558OB-I00 | es_ES |
dc.relation | info:eu-repo/grantAgreement/MICINN/PID2022-136566NB-I00 | es_ES |
dc.relation | info:eu-repo/grantAgreement/MICINN/PDC2022-133706-I00 | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es/ | * |
dc.subject | cancer | es_ES |
dc.subject | chemotherapy | es_ES |
dc.subject | cyanomethyl vinyl ethers | es_ES |
dc.subject | cytotoxicity | es_ES |
dc.subject | tubulin inhibitors | es_ES |
dc.title | Synthesis, biological and computational evaluation of novel cyanomethyl vinyl ether derivatives | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.holder | © 2024 Martín-Encinas, Fuertes, Delgado- Hernández, García-Tellado, Tejedor and Alonso. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms. | es_ES |
dc.rights.holder | Atribución 3.0 España | * |
dc.relation.publisherversion | https://www.frontiersin.org/journals/pharmacology/articles/10.3389/fphar.2024.1344042/full | es_ES |
dc.identifier.doi | 10.3389/fphar.2024.1344042 | |
dc.departamentoes | Química orgánica I | es_ES |
dc.departamentoeu | Kimika organikoa I | es_ES |
Files in this item
This item appears in the following Collection(s)
Except where otherwise noted, this item's license is described as © 2024 Martín-Encinas, Fuertes, Delgado-
Hernández, García-Tellado, Tejedor and
Alonso. This is an open-access article
distributed under the terms of the Creative
Commons Attribution License (CC BY). The use,
distribution or reproduction in other forums is
permitted, provided the original author(s) and
the copyright owner(s) are credited and that the
original publication in this journal is cited, in
accordance with accepted academic practice.
No use, distribution or reproduction is
permitted which does not comply with these
terms.