Synthesis of Apigenin and Quercetin-Like Compounds, Molecular Docking Simulation, and Investigation of Their Bioactivity on A549 Cell Lines

YILDIRIR Y., Ozel S., DOYDUK D., Kartal Y., SABUNCUOĞLU S.

CHEMISTRYSELECT, vol.7, no.43, 2022 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 7 Issue: 43
  • Publication Date: 2022
  • Doi Number: 10.1002/slct.202203121
  • Journal Name: CHEMISTRYSELECT
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier
  • Keywords: Flavonoids, Cytotoxicity, Chalcone, Ketones, Docking, BASIS-SETS
  • Hacettepe University Affiliated: Yes

Abstract

Apigenin and quercetin compounds, which are polyphenolic compounds, are used in the treatment of many diseases, including cancer treatment. Many researchers have investigated the bioactivity of apigenin and quercetin derivatives by attaching a fluorine atom or atoms due to the bioactivity of the fluorine atom. In this study, 16 new compounds were synthesized by attaching one or more trifluoromethyl groups to apigenin and quercetin-like compounds; the structures of these compounds were verified by spectroscopic methods, and the cytotoxic activities of compound (5-8 and 13-16) were evaluated by MTT assay. Compound 5 (IC50=150.95 mu M) was found to be the most effective of these compounds.