| 基于配体姜黄素的3D-QSAR研究进展 |
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| 引用本文： | 韦星船,蔡伟平,杨前程,邓妮,任保川.基于配体姜黄素的3D-QSAR研究进展[J].广州大学学报(自然科学版),2014(6):16-22. |
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| 作者姓名： | 韦星船 蔡伟平 杨前程 邓妮 任保川 |
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| 作者单位： | 广州大学化学化工学院; |
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| 基金项目： | 广东省科技计划资助项目(2011B050400028);广州市科技计划资助项目(12C32011623) |
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| 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.
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| 关 键 词： | 3D-QSAR 计算机辅助药物设计 姜黄素 配体 |
Research progress of 3D-QSAR based on the ligand of curcumin |
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| WEI Xing-chuan,CAI Wei-ping,YANG Qian-cheng,DENG Ni,REN Bao-chuan.Research progress of 3D-QSAR based on the ligand of curcumin[J].Journal og Guangzhou University:Natural Science Edition,2014(6):16-22. |
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| Authors: | WEI Xing-chuan CAI Wei-ping YANG Qian-cheng DENG Ni REN Bao-chuan |
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| Institution: | (School of Chemistry and Chemical Engineering, Guangzhou University, Guangzhou 510006, China) |
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| Abstract: | 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. |
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| Keywords: | 3D-QSAR computer-aided drug design curcumin ligand |
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