Quantitative Structure-Activity Relationships in Tetrahymena Toxicity Studies
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概要
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Regression analysis was carried out in order to predict the effective concentration (EC_<50>) of 34 chemicals for inhibition of the growth of Tetrahymena pyriformis in 24 h. We examined 4 items (n-octanol/water partition coefficient (P), molecular weight (M_r), organic and inorganic characters, and molecular connectivity indices) and their derivatives. The best one-parameter equation was that involing M_r [log EC_<50>=-1.964 (M_r/100)+5.380 (r=-0.821,s=0.603,n=34)], and the second best involved the 3rd order valence molecular connectivity index of path type, ^3χ^v_p[log EC_<50>=1.108 ^3χ^v_p+3.944(r=-0.810,s=0.619,n=34)], while the n-octanol/water partition coefficient was least effective for the prediction of EC_<50> values [log EC_<50>=-0.735 log P+4.233 (r=-0.780,s=0.660,n=34)]. The best combination for a two-parameter equation was ^3χ^v_p and M_r [log EC_<50>=-1.105 (M_r/100)-0.638 ^3χ^v_p+4.990 (R=0.866,s=0.516,n=34)]. Regression analysis with the same 4 items on median lethal concentration (LC_<50>) of 123 chemicals for Oryzias latipes (red killifish) was refered and the limitations in the application of the parameters and the equations botained are discussed.
- 公益社団法人日本薬学会の論文
- 1986-12-31
著者
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Sato Takahiko
Gifu College Of Pharmacy
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Ose Youki
Gifu College Of Pharmacy
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YOSHIOKA YOSHITADA
Gifu College of Medical Technology
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