Synthesis, Molecular Modeling and Biological Evaluation of 7-Sulfanylflavone as Anticancer AgentsXuan Qin, Hong-Jia Zhang, Hong-Juan Zhang, Hui Zhang and Hai-Liang Zhu*
State Key Laboratory of Pharmaceutical Biotechnology, Nanjing University, Nanjing 210093, People’s, Republic of China
- *Corresponding Author:
- Dr. Hai-Liang Zhu
State Key Laboratory of Pharmaceutical
Biotechnology, Nanjing University
Nanjing 210093, People’s, Republic of China
E-mail: [email protected]
Received date: November 27, 2011; Accepted date: December 16, 2011; Published date: December 25, 2011
Citation: Qin X, Zhang HJ, Zhang HJ, Zhang H, Zhu HL (2011) Synthesis, Molecular Modeling and Biological Evaluation of 7-Sulfanylflavone as Anticancer Agents. Medchem 1:017-020. doi:10.4172/2161-0444.1000104
Copyright: © 2011 Qin X, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
A series of novel flavonoids derivatives containing sulfhydryl groups have been designed, designing for potential FAK inhibitors. Docking simulation was performed to position these compounds into the FAK active site to determine the probable binding model. Simulation results showed that 5-hydroxy-3-(4-hydroxyphenyl)-7-mercapto-4H-chromen- 4-one(4a),7-mercapto-3-(4-methoxyphenyl)-4H-chromen-4-one(4b) and 5-hydroxy-7-mercapto- 2-phenyl- 4H- chromen- 4-one(4c) displayed the most potent biological activity. So the three compounds have been synthesized. Antiproliferative assay results demonstrated that the three compounds own fairly good antiproliferative activity .Therefore compounds 4a, 4b and 4c would be potential anticancer agents.