Unknown

Dataset Information

0

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

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.

SUBMITTER: Martin-Encinas E 

PROVIDER: S-EPMC10944868 | biostudies-literature | 2024

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

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

Martín-Encinas Endika E   Fuertes María M   Delgado-Hernández Samuel S   García-Tellado Fernando F   Tejedor David D   Alonso Concepción C  

Frontiers in pharmacology 20240304

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. <i>In vitro</i> cytotoxicity assessments revealed significant activity in SKOV3 ovarian carcinoma cells and A549 lung carcinoma cells. Structure-Activity Relationship (SAR) analysis indicated that the <i>E</i> isomer and specific substitutions influenced the biological activity. Computation  ...[more]

Similar Datasets

Unknown Synthesis, biological evaluation, and computational studies of some novel quinazoline derivatives as anticancer agents.
| S-EPMC9682696 | biostudies-literature
Unknown Novel Sulfonylurea Derivatives as Potential Antimicrobial Agents: Chemical Synthesis, Biological Evaluation, and Computational Study.
| S-EPMC9951967 | biostudies-literature
Unknown Novel Fluorinated 7-Hydroxycoumarin Derivatives Containing an Oxime Ether Moiety: Design, Synthesis, Crystal Structure and Biological Evaluation.
| S-EPMC7828289 | biostudies-literature
Unknown Synthesis and Biological Evaluation of Novel Bufalin Derivatives.
| S-EPMC8999407 | biostudies-literature
Unknown Design, synthesis, and biological evaluation of 3-vinyl-quinoxalin-2(1H)-one derivatives as novel antitumor inhibitors of FGFR1.
| S-EPMC4861610 | biostudies-literature
Unknown Synthesis, design, biological evaluation, and computational analysis of some novel uracil-azole derivatives as cytotoxic agents.
| S-EPMC10765869 | biostudies-literature
Unknown Cyanovinylation of Aldehydes: Organocatalytic Multicomponent Synthesis of Conjugated Cyanomethyl Vinyl Ethers.
| S-EPMC8304223 | biostudies-literature
Unknown New Natural Eugenol Derivatives as Antiproliferative Agents: Synthesis, Biological Evaluation, and Computational Studies.
| S-EPMC10233844 | biostudies-literature
Unknown Synthesis and biological evaluation of (+)-paeoveitol derivatives as novel antidepressants.
| S-EPMC9488892 | biostudies-literature
Unknown Design, synthesis and biological evaluation of novel betulinic acid derivatives.
| S-EPMC3541990 | biostudies-literature