Synthesis, biological and computational evaluation of novel cyanomethyl vinyl ether derivatives

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. cytotoxicity assessments revealed significant activity in SKOV3 ovarian carcinoma cells and...

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Published inFrontiers in pharmacology Vol. 15; p. 1344042
Main Authors Martín-Encinas, Endika, Fuertes, María, Delgado-Hernández, Samuel, García-Tellado, Fernando, Tejedor, David, Alonso, Concepción
Format Journal Article
LanguageEnglish
Published Switzerland Frontiers Media S.A 04.03.2024
Subjects
cancer
chemotherapy
cyanomethyl vinyl ethers
cytotoxicity
Pharmacology
tubulin inhibitors
tubulin inhibitors
cancer
chemotherapy
cyanomethyl vinyl ethers
cytotoxicity
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Summary: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. cytotoxicity assessments revealed significant activity in SKOV3 ovarian carcinoma cells and A549 lung carcinoma cells. Structure-Activity Relationship (SAR) analysis indicated that the 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 , with the 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.
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Edited by: Rafael Peláez, University of Salamanca, Spain
Reviewed by: Stanislav Yanev, Bulgarian Academy of Sciences (BAS), Bulgaria
Afzal Basha Shaik, Jawaharlal Nehru Technological University, Kakinada, India
ISSN:1663-9812
1663-9812
DOI:10.3389/fphar.2024.1344042