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

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 determined as per the standard protocol and LC50, TGI and GI50 were calculated. 1-(7-Hydroxy-4-methyl-2-oxoquinolin-1(2H)-yl)-3-(4-methoxylphenyl)urea (5j) showed maximum anticancer activity with GI50 of 35.1 µM against HeLa (Cervix Cancer Cell Line) and 60.4 µM against MDA-MB-435 (Breast Cancer Cell Line). A molecular docking study implying epidermal growth factor receptor tyrosine kinase (EGFR-TK) was carried out to observe the binding mode of the 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.