摘要
在药物设计合成过程中计算机辅助药物设计已经成为一种不可或缺的工具,其中,三维定量构效关系方法的应用最为广泛.文章简要介绍了姜黄素的研究进展,重点介绍计算机辅助药物设计的原理方法,综述了三维定量构效关系在药物设计中的应用,分析了三维定量构效关系在指导姜黄素类似物设计合成方面的现状,对3D-QSAR方法指导设计姜黄素类似物合成进行了展望,同时指出计算机辅助药物设计存在的一些问题.
The design of computer aided drug design has become an indispensable tool in medicine synthesis process.The application of three-dimensional quantitative structure-activity relationship method is the most widely used.This paper briefly introduced the research progress of curcumin.The principle and method of computer aided drug design was introduced specifically,and the application of three-dimensional quantitative structure-activity relationship in drug design was summarized.The application of 3D-QSAR in guiding the design of curcumin analogues,and to guide the design of curcumin analogues were discussed.Lastly,some problems in computer aided drug design were pointed out in this paper.
出处
《广州大学学报（自然科学版）》
CAS
2014年第6期16-22,共7页
Journal of Guangzhou University:Natural Science Edition
基金
广东省科技计划资助项目(2011B050400028)
广州市科技计划资助项目(12C32011623)
