QUANTITATIVE STRUCTURE–ACTIVITY RELATIONSHIP MODELING ON IN VITRO ENDOCRINE EFFECTS AND METABOLIC STABILITY INVOLVING 26 SELECTED BROMINATED FLAME RETARDANTS

2007 ◽  
Vol 26 (4) ◽  
pp. 816 ◽  
Author(s):  
Mikael Harju ◽  
Timo Hamers ◽  
Jorke H. Kamstra ◽  
Edwin Sonneveld ◽  
Jan P. Boon ◽  
...  
Keyword(s):  
Flame Retardants ◽  
Brominated Flame Retardants ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Metabolic Stability ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
Endocrine Effects ◽  
Structure Activity

scholarly journals Quantitative structure-activity relationship of some 1-benzylbenzimidazole derivatives as antifungal agents

2007 ◽  
pp. 139-147 ◽  
Author(s):  
Sanja Podunavac-Kuzmanovic ◽  
Dijana Barna ◽  
Dragoljub Cvetkovic
Keyword(s):  
Antifungal Activity ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Biologically Active ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
Yeast Saccharomyces Cerevisiae ◽  
Structure Activity ◽  
Lipophilicity Parameter

In the present study, the antifungal activity of some 1-benzylbenzimidazole derivatives against yeast Saccharomyces cerevisiae was investigated. The tested benzimidazoles displayed in vitro antifungal activity and minimum inhibitory concentration (MIC) was determined for all the compounds. Quantitative structure-activity relationship (QSAR) has been used to study the relationships between the antifungal activity and lipophilicity parameter, logP, calculated by using CS Chem-Office Software version 7.0. The results are discussed on the basis of statistical data. The best QSAR model for prediction of antifungal activity of the investigated series of benzimidazoles was developed. High agreement between experimental and predicted inhibitory values was obtained. The results of this study indicate that the lipophilicity parameter has a significant effect on antifungal activity of this class of compounds, which simplify design of new biologically active molecules.

Quantitative structure activity relationship (QSAR) for toxicity of chlorophenols on L929 cells in vitro

Chemosphere ◽  
2006 ◽  
Vol 64 (10) ◽  
pp. 1619-1626 ◽  
Author(s):  
Xiaohua Liu ◽  
Jiangning Chen ◽  
Hongxia Yu ◽  
Jinsong Zhao ◽  
John P. Giesy ◽  
...  
Keyword(s):  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
L929 Cells ◽  
Structure Activity
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