Evaluation of Anticancer and Anti‐Inflammatory Activities of some Thiazole Derivatives
TL;DR
2‐thiazoline, a derivative containing 2‐thiazoline, which showed the most potential in terms of both anticancer and anti‐inflammatory activity among all compounds, was subjected to molecular docking studies on Caspase‐3 and COX‐1 enzymes and found to interact with the hydrophobic regions of amino acids.
Abstract
In this study, 2‐(heteroaryl thio)‐ N ‐(4‐methylthiazol‐2‐yl)acetamide ( 3a–3i ) derivatives were synthesized, and the anticancer activity of the compounds were investigated on A549 lung cancer and C6 glioma cell lines. Their anti‐inflammatory activities were tested against COX‐1, COX‐2, and LOX enzymes. Compounds 3a and 3c showed high cytotoxic activity against the A549 cell line, while compounds 3b, 3c, and 3f exhibited selective cytotoxicity against C6. Compared to cisplatin, a strong antiproliferative activity was detected against the C6 cell line. Further studies of anticancer treatments revealed that compound 3c significantly induced apoptosis, caspase‐3 activation, and mitochondrial membrane polarization against the A549 cell line. Compound 3c inhibited COX‐1 by 98.11% and 3h by 90.47%, while showing no significant inhibition of COX‐2 or LOX. Compound 3c , a derivative containing 2‐thiazoline, which showed the most potential in terms of both anticancer and anti‐inflammatory activity among all compounds, was subjected to molecular docking studies on Caspase‐3 and COX‐1 enzymes. Compound 3c was found to interact with Ser205, Arg207, and Gly122 of caspase‐3 enzyme via hydrogen bonds, and similarly, due to its hydrophobic property in both caspase‐3 and COX‐1 enzymes, 3c interacts with the hydrophobic regions of amino acids.