Quantitative structure-activity relationship of sesquiterpene lactones with anti-ulcerogenic activity

摘要：

A quantitative structure-activity relationship study based on stepwise regression analysis for the anti-ulcerogenic activities (percentage inhibition of ulceration) of 12 sesquiterpene lactones was performed and the linear regression model between anti-ulcerogenic activities and their molecular descriptors was established (R=0.9825). Anti-ulcerogenic activity has significant negative correlation with molecular refractivity, polarizability and Wiener Index. The number of molecular rotatable bonds might less than 3 so sesquiterpene lactones could have good activity. The presence of non-hindered α,β-unsaturated carbonyl groups seems to be an essential structural requirement for the anti-gastric ulcer activity.

关键词： quantitative structure-activity relationship sesquiterpene lactones anti-ulcerogenic activity

作者: Huajun Luo Junzhi Wang Yuan Zhou Kun Zou

作者单位: Hubei Key Laboratory of Natural Products Research and Development,College of Chemistry & Life Science China Three Gorges University Yichang,Hubei 443002,China

会议类型: 国际会议

会议名称: The 3rd International Conference on Bioinformatics and Biomedical Engineering(iCBBE 2009)(第三届生物信息与生物医学工程国际会议)

会议地点: 北京

会议语种:英文

页码: 1-5

在线出版日期: 2009-06-11（万方平台首次上网日期，不代表论文的发表时间）