10种天然黄酮化合物对大鼠心肌细胞抗凋亡作用的定量构效关系研究

QSAR study of anti-apoptosis of 10 natural flavones on rat cardiocyte

目的利用10种天然黄酮化合物对大鼠心肌细胞抗凋亡活性数据,对10种黄酮化合物的2个理化参数(脂水分配系数logP和游离羟基数N)进行定量构效关系研究(QSAR),找出最佳拟合方程——Hansch方程,以指导黄酮类化合物的结构最佳化研究。方法利用过氧化氢诱导心肌细胞损伤模型,用MTT法测定10种天然黄酮化合物的抗凋亡作用,利用统计软件SPSS 13.0进行多元线性回归分析。结果得到黄酮化合物抗凋亡作用的Hansch方程。结论通过统计分析,所选定的天然黄酮化合物的Hansch方程具有较好的拟合性(n=10,r=0.807,SE=0.0920,F=6.541,Q=8.77)。

Aim To obtain the best fitting equation, Hansch equation between the anti-apoptosis activity of 10 tested natural flavones on rat cardiocyte and two physicochemical properties, logP and number of free hydroxyl group（N）, the anti-apoptosis activity data of flavones and physicochemical properties were utilized on quantitative structure-activity relationships （QSAR） study. Then further exploitation of anti-apoptosis flavone derivatives could be guided. Methods The cardiocyte damage model was induced by H202. The antiapoptosis ratio of 10 natural flavones were tested in the MTT assay. The multiple linear regression analyses were carried out with the statistical SPSS（version 13.0）. Results The Hansch equation on anti-apoptosis of flavones was obtained. Conclusion The fitting of Hansch equation of natural flavones was satisfactory by statistical analysis（n = 10, r = 0. 807, SE = 0. 0920, F = 6. 541, Q = 8.77）.