Synthesis, in-vitro and in-silico investigation of oxindole-containing Schiff base derivative as potential anticancer agents

Abstract

Herein, the transformation of oxindole into oxindole-containing Schiff base using diaminohexane as a linker for the development of drug-like molecules and their cytotoxicity against sixty human cancer cell lines are reported. However, synthesized compound 3a was successfully validated using analytical tools like FT-IR and ¹H and ¹³C NMR. Moreover, the National Cancer Institute from the United States of America biologically tested against sixty selected human cancer cell lines. This synthesized compound 3a was found to be a strong drug against SNB-75 of central nervous system (CNS) cancer and UO-31 of renal cancer at 10 µM concentrations. After that, synthesized compound 3a was further analyzed to find out their pathway inhibition, which was conducted through the in-silico-based analysis as well. Consequently, docked complexes named HIF-1α-3a and HIF-1α-sunitinib showed the binding affinities of 5.5 kcal/mol and 4.9 kcal/mol, respectively. The aim of the proposed work is the discovery of anticancer drugs; such investigation was done as preliminary analyses.