Lavendustin A类似物抗肿瘤活性的二维定量构效关系研究

QSAR Studies of Antitumor Inhibitors Lavendustin A Analogues

摘要: 目的:研究Lavendustin A衍生物抗肿瘤活性的定量构效关系.方法:采用二维定量构效关系方法经计算机模拟与统计分析,获得定量构效关系方程.结果:Lavendustin A衍生物的极化率性、总电荷绝对值、最大正电荷和最大负电荷与活性有良好的线性关系.结论:获得较好的定量构效关系方程,说明了结构与活性之间的关系.

Abstract: AIM:To study QSAR of antitumor inhibitors Lavendustin A analogues. METHOD: 2D QSAR method was used. RESULT: The biological activities are closely related to polarizabilities,the absolute value of the total charge,maximum positive charge and maximum negati