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抗HIV融合抑制剂的定量构效关系

Keywords: 融合抑制剂,跨膜蛋白gp41,艾滋病病毒,三维定量构效关系,易位体比较分子场分析方法

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Abstract:

利用三维定量构效关系研究抗HIV融合抑制剂和受体(跨膜蛋白gp41)的结构-活性关系.基于具有活性的抑制剂,用易位体比较分子场分析方法(topomercomparativemolecularfieldanalysis,TopomerCoMFA)方法建立抑制剂结构与活性之间关系的数学模型,并利用统计分析,评价与分析模型的预测能力,结果表明该模型具有较好的预测能力.研究结果可为未知化合物的活性预测、苗头化合物的结构改造、新化合物实体的设计提供理论指导.

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