Synthesis, Quantum Chemical Studies and Cytotoxicity Activity ofDiastereoselective trans-2,3-dihydronaphtho[2,3-b]furan Derivatives

A green, one-pot three component approach for the synthesis of diastereoselective trans-2,3-dihydronaphtho [2,3-b] furan derivatives(4a-g). Synthesized compounds were evaluated for their anticancer activity against A549 human lung adenocarcinoma cancer cell line. Among all the tested Compounds 4b and 4c showed the most potent biological activity against A549 lung cancer cell line. Docking simulation was performed to position compounds 4b and 4c showed greater affinity for anaplastic lymphoma kinase (ALK) receptor. Quantum chemical studies were carried out on these compounds to understand the structural features essential for activity using DFT/6-31G level of theory.