Work

Design, click synthesis, and biological evaluation of novel uracil-1,2,3-triazole hybrids as dual EGFR/CDK1 inhibitors: antiproliferative activity, mechanistic insights, and in silico studies

Year: 2026

Type: article

Abstract: 1.16% in control) in HT29 cells, accompanied by upregulation of Caspase-3 and BAX, with a rise in Bcl-2 whose significance remains to be established. Molecular docking predicted that 10a can occupy the ATP-binding pockets of both EGFR and CDK1, and normal-mode analysis (iMODS) suggested that the docked complexes are structurally plausible. Computational ADMET profiling, however, flags several liabilities for 10a, including predicted hepatotoxicity, low predicted oral absorption and a short predicted half-life. These findings highlight the uracil-triazole scaffold, specifically compound 10a, as a promising starting point for the development of targeted dual EGFR/CDK1 anticancer therapeutics.

Source: RSC Advances

DOI: 10.1039/d6ra09088e

Authors: Asmaa H. Mohamed, Ashraf A. Aly, Elshimaa M. N. Abdelhafez, Aya A. Fouly, Alan B. Brown, Sageda A. Gedamy

Institutions: Minia University, Florida Institute of Technology

Language: English

Topic: Synthesis and Characterization of Heterocyclic Compounds

Subfield: Organic Chemistry

Field: Chemistry

Domain: Physical Sciences

SDG: Good health and well-being

Open Access status: gold

Estimated APC paid: $1,042