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

  • Bioorg Med Chem Lett. 2010 Oct 1;20(19):5705-8. doi: 10.1016/j.bmcl.2010.08.017.
Xin-Hua Liu  1 ,  Hui-Feng Liu ,  Jin Chen ,  Yang Yang ,  Bao-An Song ,  Lin-Shan Bai ,  Jing-Xin Liu ,  Hai-Liang Zhu ,  Xing-Bao Qi
Affiliations
  • 1. School of Chemistry and Chemical Engineering, Anhui University of Technology, Maanshan 243002, PR China.
PMID: 20800480 DOI: 10.1016/j.bmcl.2010.08.017
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 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.