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. 1987 Nov;31(11):1831-40.
doi: 10.1128/AAC.31.11.1831.

Computer automated structure evaluation of quinolone antibacterial agents

G Klopman  1 , O T Macina, M E Levinson, H S Rosenkranz
Affiliations

Computer automated structure evaluation of quinolone antibacterial agents

G Klopman et al. Antimicrob Agents Chemother. 1987 Nov.

Abstract

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.

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