摘要
Abstract Using the method of stepwise multivariate linear regression (SMLR), the quantitative structure activity relationships (QSAR) of two isomeric series of taxol and its derivatives have been studied. It was found that the molar refractivity of the C3′substituent of the C13 side chain has significant correlation with its activity. We deduce that structural changes in the C3′substituents may be critical to the anticancer function. It would be useful to the design and synthesis of taxol like compounds with improved activities.
应用逐步多元线性回归方法，对紫杉醇及其衍生物的两个异构体系进行了构效关系研究，发现Ｃ１３位侧链中的Ｃ３＇位取代基的摩尔折射与其活性密切相关，从而可以推断出Ｃ３′位取代基的改变很可能是其生物活性变化的重要因素，这为设计与合成活性较高的紫杉醇类似物将提供有价值的参考信息。
