THE SUBSTITUENT ENTROPY CONSTANT σ_s° USED IN THE QSAR INVESTIGATION OF DIHYDROFOLATE REDUCTASE INHIBITION BY BAKER TRIAZINES

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概要

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• QSAR analysis of dihydrofolate reductase inhibition by Baker triazines - 4,6-diamino-1,2-dihydro-2,2-dimethyl-(x-substitutedphenyl)-s-triazines - was achieved for 21 congeners by the linear combination of the four kinds of parameters (σ_s°)^2,σ_s°, σ_i and σ_π・ The successful result is expressed by the equation, log (1/C) =-25.29 (±7.58) (σ_s°)^2_2+7.04 (±2.64) σ_<s°3,4>+3.22 (±1.68) |σ_i|_<3,4>+3.68 (±3.22) |σ_π|<3,4>+6.37 r=0.981,SE=0.09,F=103.7 Subscripts 2,3 and 4 denote the positions of the x substituents. This suggests that a four parameter analysis of this type is the most promising in QSAR analyses.

• 公益社団法人日本薬学会の論文
• 1982-02-25

著者

• 川木 秀子

  Faculty of Pharmaceutical Sciences, Kinki University

• 佐々木 喜男

  Faculty of Pharmaceutical Sciences, Osaka University

• 佐々木 喜男

  Faculty Of Pharmaceutical Sciences Osaka University

• 高木 達也

  Faculty of Pharmaceutical Sciences, Osaka University

• 岩田 昭裕

  Faculty of Pharmaceutical Sciences, Osaka University

• 川木 秀子

  Faculty Of Pharmaceutical Sciences Kinki University

• 岩田 昭裕

  Faculty Of Pharmaceutical Sciences Osaka University

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