Synthesis and evaluation of isatin-N-1,2,3-triazoles analogues for in vitro anticancer, α-glucosidase inhibition properties via molecular hybridization approach

Abstract

The anticancer, α-glucosidase inhibition profiles of isatin-1,2,3-triazole conjugates (9 Nos) are reported here. The compounds 3a (IC50 6.52±0.04), 3b (IC50 2.78±0.04 μM), 3d (IC50 7.09±0.037 μM) and 3h (2.25±0.04 μM) have shown more potent anti-cancer activity against HeLa and HepG2 cell lines respectively compared to the standard Doxorubicin (IC50 9.03±0.07 and 10.15±0.003 respectively). While, compound 3e potentially inhibits α-glucosidase enzyme (47.4%) when compared to the standard Acarbose (56.0%), compound 3f has shown potent lipase inhibition activity (80.8%) when compared to the standard Orlistat (91.1%). In in silico studies, the docking of derivatives with the respecting anticancer, AGH and lipase targets have revealed their potential binding affinities. Also the plot of PSA vs ALogP has revealed the compounds with favorable physicochemical properties for CNS drug development or oral delivery