In 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).

中文翻译：

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3-（2-（5-氨基-3-芳基-1H-吡唑-1-基）噻唑-4-基）-2-H-色烯-2-酮类化合物作为潜在抗癌剂：合成，抗癌活性评估和分子对接研究

为了在此处设计和开发有效的抗癌药，我们报告了新的3-（2-（5-氨基-3-芳基-1 H-吡唑-1-基）噻唑-4的合成，抗癌活性和分子对接研究-yl）-2 H -chromen-2-ones。通过使用各种取代的3-（2-溴乙酰基）香豆素（1 aj），硫代氨基脲（2）和苯甲酰基乙腈（3 a c），通过一种简便的一锅多组分方法合成目标产物。所有合成的化合物均通过物理和分析方法（IR，¹ H NMR，¹³C NMR和质谱），并筛选了它们对五种人类癌细胞系[L1210，CEM，DU‐145，HeLa和MCF-7]的抗癌特性。在测试的化合物中，6-二乙基氨基取代的化合物4 k对测试的癌细胞系表现出优异的效力，而6,8-Ditert-丁基取代的化合物4 j对具有IC _50的DU-145和MCF-7癌细胞表现出有希望的活性值为7±1和9±6μM。进行分子对接研究是为了了解化合物与人表皮生长因子受体（EGFR）的最合理的结合位点相互作用。