Bioorganic & Medicinal Chemistry Letters 2010-10-01

Synthesis and molecular docking study of novel coumarin derivatives containing 4,5-dihydropyrazole moiety as potential antitumor agents.

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

文献索引：Bioorg. Med. Chem. Lett. 20 , 5705-8, (2010)

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摘要

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 IC(50) 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 IC(50) 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.Copyright © 2010 Elsevier Ltd. All rights reserved.