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Bioorg Med Chem ; 11(9): 2085-90, 2003 May 01.
Article in English | MEDLINE | ID: mdl-12670659

ABSTRACT

A series of nineteen substituted 1,2,3,4,6,7,12,12a-octahydropyrazino[2',1':6,1]pyrido[3, 4-b]indoles analogues of neuroleptic drug, Centbutindole have been studied using quantitative structure-activity relationship analysis. The derived models display good fits to the experimental data (r>or=0.75) having good predictive power (r(cv)>or=0.688). The best model describes a high correlation between predicted and experimental activity data (r=0.967). Statistical analysis of the equation populations indicates that hydrophobicity (as measured by pi(R), logP(o/w) and SlogP_VSA8), dipole y and structural parameters in terms of indicator variable, (In(1)) and globularity are important variables in describing the variation in the neuroleptic activity in the series.


Subject(s)
Antipsychotic Agents/chemistry , Indoles/chemistry , Pyrazines/chemistry , Quantitative Structure-Activity Relationship , Animals , Antipsychotic Agents/pharmacology , Avoidance Learning/drug effects , Avoidance Learning/physiology , Indoles/pharmacology , Pyrazines/pharmacology , Rats
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