2. Academic Validation
  3. Synthesis, evaluation and quantitative structure-activity relationship (QSAR) analysis of Wogonin derivatives as cytotoxic agents

Synthesis, evaluation and quantitative structure-activity relationship (QSAR) analysis of Wogonin derivatives as cytotoxic agents

  • Bioorg Med Chem Lett. 2017 Feb 15;27(4):1012-1016. doi: 10.1016/j.bmcl.2016.12.076.
Jinlei Bian 1,  Tinghan Li 1,  Tianwei Weng 1,  Jubo Wang 1,  Yu Chen 1,  Zhiyu Li 2
Affiliations

Affiliations

  • 1 Jiangsu Key Laboratory of Drug Design and Optimization, China Pharmaceutical University, Nanjing 210009, China.
  • 2 Jiangsu Key Laboratory of Drug Design and Optimization, China Pharmaceutical University, Nanjing 210009, China. Electronic address: zhiyuli@cpu.edu.cn.
PMID: 28117202 DOI: 10.1016/j.bmcl.2016.12.076
Abstract

A novel series of 49 wogonin derivatives were synthesized by introducing group at 7-, 8- or B ring of wogonin. The cytotoxic activities against HepG2, A549 and BCG-823 Cancer cell lines were also investigated in vitro. Several of them showed obvious cytotoxic activities and compound 3h possessed the highest potency against HepG2, A549, and BCG-823 with IC50 values of 1.07μM, 1.74μM and 0.98μM, respectively. A quantitative structure-activity relationship (QSAR) study of these synthetic derivatives as well as wogonin indicated that high solubility and low octanol/water partition coefficient are favorable, and excessive electrostatic properties and refractivity are unfavorable for the cytotoxic activities of these wogonin derivatives. These findings and results provide a base for further investigations.

Keywords

Cytotoxic; Flavonoid; QSAR; Wogonin.

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