Synthesis and molecular docking study of novel coumarin derivatives containing 4,5-dihydropyrazole moiety as potential antitumor agents |
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| Authors: | Xin-Hua Liu Hui-Feng Liu Jin Chen Yang Yang Bao-An Song Lin-Shan Bai Jing-Xin Liu Hai-Liang Zhu Xing-Bao Qi |
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| Institution: | 1. School of Chemistry and Chemical Engineering, Anhui University of Technology, Maanshan 243002, PR China;2. State Key Laboratory of Pharmaceutical Biotechnology, Nanjing University, Nanjing 210093, PR China;3. Key Laboratory of Green Pesticide and Agriculture Bioengineering, Ministry of Education, Guizhou University, Guiyang 550025, PR China;4. School of Pharmacy, China Pharmaceutical University, Nanjing 210009, PR China |
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| Abstract: | A series of novel coumarin derivatives containing 4,5-dihydropyrazole moiety as potential telomerase inhibitors were synthesized. The bioassay tests show that compound 3d exhibited potentially high activity against human gastric cancer cell SGC-7901 with IC50 value of 2.69 ± 0.60 μg/mL. All title compounds were assayed for telomerase inhibition by a modified TRAP assay, the results show that compounds 3d and 3f can strongly inhibit telomerase with IC50 values of 2.0 ± 0.07 and 1.8 ± 0.35 μM, respectively. Docking simulation was performed to position compound 3d into the telomerase (3DU6) active site to determine the probable binding model. |
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