Synthesis, Anticancer Activity and Molecular Docking Studies of Newer Quinoline Analogues

Abstract

A series of new quinoline analogues was prepared in two steps. All the synthesized compounds were characterized by IR, NMR and mass spectral data. The anticancer activity was carried out as per the standard protocol and LC 50 , TGI and GI 50 were calculated. 1-(7-Hydroxy-4-methyl-2-oxoquinolin-1(2H)-yl)-3-(4-methoxylphenyl)urea (5j) showed maximum anticancer activity with GI 50 of 35.1 µM against HeLa (cervix cancer cell line) and 60.4 µM against MDA-MB-435 (breast cancer cell line) respectively. A molecular docking study implying epidermal growth factor receptor tyrosine kinase (EGFR-TK) was carried out to observe the binding mode of new quinoline analogues on the active site of EGFR-TK. The compound 5j showed maximum docking score among the series of compounds. The amino acid residues Met793 showed backbone H-bonding with the hydroxyl group, while Asp855 showed side chain H-bonding with aryl NH group.