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THREE DIMENSIONAL QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP OF A SERIES OF BENZOCYLOHEPTAPYRIDINE FARNESYLTRANSFERASE INHIBITORS
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- Author:
- No author available
- Journal Title:
- ACTA PHARMACEUTICA SINICA
- Issue:
- 4
- DOI:
- 10.3321/j.issn:0513-4870.2002.04.005
- Key Word:
- 法呢基蛋白转移酶(FPTase);比较分子力场分析(CoMFA);吡啶并苯并环庚烯
Abstract： 目的建立苯并环庚并吡啶类法呢基蛋白转移酶(FPTase)抑制剂三维定量构效关系模型.方法和结果利用比较分子力场分析方法对69个苯并环庚并吡啶类FPTase抑制剂建立了三维定量构效模型,模型的交叉验证系数R2=0.581,非交叉验证系数R2=0.968,SE=0.148,F=198.7.结论利用所获得CoMFA模型对10个FPTase抑制剂进行了活性预测,预测值与实测值相近,说明利用该模型进行新苯并环庚并吡啶类FPTase抑制剂分子设计有较好的可信度.
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