Synthesis,molecular docking and evaluation of thiazolyl-pyrazoline derivatives containing benzodioxole as potential anticancer agents |
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| Authors: | Hai-Hong Wang Ke-Ming Qiu Hong-En Cui Yu-Shun Yang Man Xing Xiao-Yang Qiu Li-Fei Bai Hai-Liang Zhu |
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| Institution: | 1. State Key Laboratory of Pharmaceutical Biotechnology, Nanjing University, Nanjing 210093, PR China;2. Department of chemistry, Shangqiu Normal University, Shangqiu 476000, PR China;3. School of Life Sciences and Chemistry, Jiangsu Institute of Education, Nanjing 210013, PR China |
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| Abstract: | A series of novel thiazolyl-pyrazoline derivatives containing benzodioxole (C1–C20) have been designed and synthesized. Among of the synthesized compounds, 2-(5-(benzod]1,3]dioxol-5-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-(4-bromophenyl)thiazole (C6) displayed the most potent inhibitory activity for HER-2 (IC50 = 0.18 μM for HER-2). Antiproliferative assay results indicated that compound C6 owned high antiproliferative activity against MCF-7 and B16-F10 in vitro, with IC50 value of 0.09 and 0.12 μM, respectively, being comparable with the positive control Erlotinib. Docking simulation was further performed to determine the probable binding model. Based on the preliminary results, compound C6 with potent inhibitory activity in tumor growth would be a potential anticancer agent. |
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