Design, synthesis, molecular docking and molecular dynamics studies of some 3-methoxy flavone derivatives as an anti-breast cancer agent.

ABSTRACT:

Objective

The present study aimed to synthesize flavone hybrids with 3-methoxy substitution and an N-heterocyclic ring at the 4' position of the flavone B ring and test their effectiveness against cancer.

Method

Molecular docking of 3-methoxy flavone was studied on ER-α and EGFR. By cyclizing chalcones, various flavonol derivatives were synthesized and 3-methoxy flavones were produced by flavonol methylation. 3-methoxy flavone derivatives substituted with various heterocyclic rings like morpholine, piperidine, N-methyl piperazine, pyrrolidine, triazole, imidazole, and benzimidazole were synthesized. ¹HNMR, ¹³CNMR, IR, and mass spectra verified all compound's structures. 3-methoxy flavone derivatives evaluated for their anticancer potential by MTT assay

SUBMITTER: Fegade BS 

PROVIDER: S-EPMC12081804 | biostudies-literature | 2025 May

REPOSITORIES: biostudies-literature