硝基呋喃铵类化合物抗肺结核活性的CoMFA研究
The CoMFA study on nitrofuranylamides as novel antituberculosis agents
查看参考文献21篇
文摘
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应用比较分子力场法(CoVMA)研究一系列硝基呋喃铵类化合物对活性的三维定量构效关系,为进一步药物设计提供理论依据.在研究的24个化合物中,用比较分子力场法得到一个CoFMA模型,交叉验证系数q^2为0.655,具有较高的预测能力及合理性,非交叉验证模型相关系数r^2分别为0.915,标准偏差SE为0.472。F为57.183;此模型对设计和预测高活性的硝基呋喃铵类化合物有一定可靠性. |
其他语种文摘
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One CoMFA(comparative molecular field analysis) model of the nitrofuranylamides was established using the advanced 3D - QSAR method in order to give a theortical basis to design new drug. The crossvalidated coefficient q^2 of one model reached 0. 655, the non-crossvalidated coefficient r^2 was 0. 915, the standard deviation was 0. 472 and F was 57. 183. The CoMFA models of nitrofuranylamides reveal the relationship between bioactivity and structure, and are helpful to further design new drugs with high bioactivity. |
来源
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云南大学学报. 自然科学版
,2006,28(1):54-59 【核心库】
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关键词
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比较分子力场法(CoFMA)
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硝基呋喃铵类化合物
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抗肺结核活性
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地址
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1.
中国科学院昆明植物研究所, 云南, 昆明, 650204
2.
云南大学化学系, 云南, 昆明, 650091
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语种
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中文 |
文献类型
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研究性论文 |
ISSN
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0258-7971 |
学科
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化学 |
基金
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中国科学院昆明植物研究所植物化学与西部植物资源持续利用国家重点实验室基金
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文献收藏号
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CSCD:2239237
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