Chem. J. Chinese Universities ›› 2010, Vol. 31 ›› Issue (6): 1172.

• Articles • Previous Articles     Next Articles

Synthesis of Gambogic Acid Oxidative Analogues and Their Dimension Quantity Structure-activity Relationship Analysis

WANG Jin-Xin1, YANG Yan1, MA Jun-Hai1, ZHANG Lei1, GUO Qing-Long2 , YOU Qi-Dong1,2*   

  1. 1. Department of Medicinal Chemistry,
    2. Jiangsu Key Laboratory of Carcinogenesis and Intervention, China Pharmaceutical University, Nanjing 210009, China
  • Received:2009-07-03 Online:2010-06-10 Published:2010-06-10
  • Contact: YOU Qi-Dong. E-mail: youqidong@gmail.com; jinxinwang@163.com
  • Supported by:

    国家自然科学基金重大研究计划项目(批准号: 90713038)、国家自然科学基金面上项目(批准号: 30873157)和江苏省青蓝工程优秀骨干教师培育项目和重大新药创制科技重大专项(批准号: 2009ZX09501-003)资助.

Abstract:

35,40-Dihydroxyl-6-methoxyl-gambogic acid methyl ester(1), 9,10-dihydroxyl-6-methoxyl-gambogic acid methyl ester(2) and 2-deisohexylene-2-(2-formyl)ethyl-6-methoxyl-gambogic acid methyl ester(3) were first synthesized. And their antitumour activities on several cancer lines were tested. Meanwhile via Tripos Sci QSAR software calculationthe QSAR equation explains the relationship between activity and structure with 2D QSAR method, and the biological activities are closely related to polarity volume ratio, the absolute value of the total charge, valence connectivity indexes and molecular volume. Our research can provide some guide meaning for the following research on studies of gambogic acid derivates.

Key words: Gambogic acid; Oxidizing reaction; Antitumor; Quantity structure-activity relationship(QSAR)

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