Novel benzothiazole-indole acetamides as potential anticancer agents: synthesis, biological evaluation, and in silico studies. (PubMed, RSC Adv)
The most potent derivative identified was 2-(3-(benzo[d]thiazol-2-yl)-1H-indol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide (9d) which demonstrated IC50 values of 7.9 ± 1.6, 16.1 ± 0.5, and 9.3 ± 2.2 µM against A549, SW480, and HepG2 cells, respectively, comparable or even superior to those of cisplatin (IC50s were 5.7 ± 1.6, 15.2 ± 0.3, and 14.3 ± 1.9 µM for A549, SW480, and HepG2 cells, respectively)...In silico predictions regarding drug-likeness, pharmacokinetics, and toxicological characteristics suggest that the promising derivative 9d could be proposed as a potential anticancer drug for further preclinical studies. Molecular docking studies revealed that 9d was well accommodated within the endothelial growth factor receptor (EGFR) active site.