Synthesis, Characterization, Computational Studies, Molecular Docking, and In Vitro Anticancer Activity of Dihydropyrano[3,2-c]chromene and 2-Aminobenzochromene Derivatives.

Abstract

2-Aminobenzochromenes and dihydropyranochromenes represent a unique class of biologically active compounds. Recent organic syntheses focus on the development of environmentally benign synthetic protocols, and as a part of this concept, we have taken a considerable interest in the synthesis of this class of biologically active compounds using an environment-friendly, reusable heterogeneous Amberlite IRA 400-Cl resin catalyst. This work further aims to highlight the importance and advantages of these compounds and to compare the experimental data obtained with those of the theoretical calculations made using the density functional theory (DFT) method. Molecular docking studies on the selected compounds were also carried out to study the effectiveness of these compounds in liver fibrosis treatment. Furthermore, we have performed molecular docking studies and an in vitro study of the anticancer activity of dihydropyrano[3,2-c]chromenes and 2-aminobenzochromenes against human colon cancer cells [HT29].