3‐(2‐(5‐Amino‐3‐aryl‐1H‐pyrazol‐1‐yl) thiazol‐4‐yl)‐2H‐chromen‐2‐ones as Potential Anticancer Agents: Synthesis, Anticancer Activity Evaluation and Molecular Docking Studies

Abstract

AbstractIn an effort to design and develop efficient anticancer agents here, we report the synthesis, anticancer activity and molecular docking studies of new 3‐(2‐(5 amino‐3‐aryl‐1H‐pyrazol‐1‐yl)thiazol‐4‐yl)‐2H‐chromen‐2‐ones. The target products were synthesized via a facile one pot multicomponent approach by utilizing various substituted 3‐(2‐bromoacetyl)coumarins(1 a‐j), thiosemicarbazide (2) and benzoylacetonitriles (3 a–c) with excellent yields. All the synthesized compounds were characterized by physical and analytical methods (IR, 1H NMR, 13C NMR and Mass spectra) and screened for their anti cancer property against five human cancer cell lines [L1210, CEM, DU‐145, HeLa, and MCF‐7]. Among the tested compounds, 6‐diethylamino substituted compound 4 k exhibited excellent potency against tested cancer cell lines, whereas 6,8‐Ditert‐butyl substituted compound 4 j shown promising activity against DU‐145 and MCF‐7 cancer cell lines with IC50 values of 7±1 and 9±6 μM. Molecular docking study was carried out in order to understand the most plausible binding site interactions of the compounds with human Epidermal growth factor receptor (EGFR).