||Computer Automated Structure Evaluation of Quinolone Antibacterial Agents.
Klopman, G. ;
Macina, O. T. ;
Levinson, M. E. ;
Rosenkranz, H. S. ;
||Case Western Reserve Univ., Cleveland, OH. Dept. of Chemistry.;Health Effects Research Lab., Research Triangle Park, NC.
Anti-infective agents ;
DNA gyrase ;
Computer automated structure evaluation(CASE) ;
Structure-activity relationship ;
Predictive value of tests
||Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy.
The Computer Automated Structure Evaluation (CASE) program was used to study a series of quinolone antibacterial agents for which experimental data pertaining to DNA gyrase inhibition as well as MICs against several strains of gram-positive and gram-negative bacteria are available. The result of the analysis was the automatic generation of molecular fragments relevant to the respective biological endpoints. The potential significance of these major activating-inactivating fragments to the biological activity is discussed. (Copyright (c) 1987 American Society of Microbiology.)