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紫杉醇类似物结构与活性关系模型 被引量:5

DEVELOPMENT AND APPLICATION OF 3D QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP MODEL OF PACLITAXEL ANALOGUES
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摘要 用比较分子场分析方法,对含有不同药效基团的紫杉醇类似物进行了三维定量构效研究,建立了具有较强预测能力的结构与活性关系模型.该模型的建立对于指导具有生物活性的新的紫杉醇类似物的研究与开发和减少合成的盲目性具有重要意义. A series of 58 paclitaxel analogues with different pharmacophores have been investigated using the comparative molecular field analysis (CoMFA),and a 3D quantitative structure activity relationship (3D QSAR) model with high prediction has been obtained.The model is very significant for the research and development of novel paclitaxel analogues and decreasing the blindness in drug design.
出处 《天津大学学报(自然科学与工程技术版)》 EI CAS CSCD 2000年第1期51-55,共5页 Journal of Tianjin University:Science and Technology
基金 教育部跨世纪优秀人才培养计划基金 天津市重大攻关项目! (9831 1 81 1 )
关键词 紫杉醇类似物 定量构效关系 比较分子场法 paclitaxel analogues CoMFA QSAR
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