||CASE (Computer Automated Structure Evaluation) Study of In vitro Inhibition of Spareteine Monooxygenase.
Klopman, G. ;
Venegas, R. E. ;
||Case Western Reserve Univ., Cleveland, OH. Dept. of Chemistry.;Health Effects Research Lab., Research Triangle Park, NC.;Office of Naval Research, Arlington, VA.
Enzyme inhibitors ;
In vitro analysis ;
Expert systems ;
Mixed function oxidases ;
Sparteine monooxygenase ;
Computer automated structure evaluation(CASE) ;
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The Computer Automated Structure Evaluation program (CASE) has been used to analyze the in vitro inhibition of sparteine monooxygenase. A significant correlation between the Log10 P (1-octanol/water) of the 74 drugs studied and their inhibitory potency is observed.