Green synthesis, anti-ovarian cancer, molecular docking, and distribution, metabolism, excretion, and toxicity study of indole chalcone hybrid derivatives

The indolyl analogs of chalcones, namely E-1-aryl-3-(1-methyl-1H-indol-3-yl)prop-2-en-1-ones (1a-g) were synthesized involving Claisen Schmidt reaction between 1-methylindole-3-carboxaldehyde and acetophenones by three Methods (A-C). The green approaches using ultrasound irradiations (Method B) and microwave irradiations (Method C) provided a significant improvement over the conventional approach (Method A), which afforded yields of only 62-78%. The anticancer effects of seven indole derivatives were evaluated on a SKOV-3 ovarian cancer cell line, with results between 1.061 ± 0.17 and 43.34 ± 0.36 μM, with compound 1c being the most effective (IC50) and compound 1g was the least, with 290.8 ± 9.325. Molecular docking of these compounds was conducted to study their interactions with epidermal growth factor receptor, estimated glomerular filtration rate (PDB ID 4HJO), and binding strength. Absorption, distribution, metabolism, excretion, and toxicity have identified indole derivatives as having beneficial qualities by examining the relationships between their structures, physical and chemical properties.. KEYWORDS :Indole, Chalcone, Estimated glomerular filtration rate, Ultrasound, Microwave, Green chemistry.