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KMID : 0370219940380060721
Yakhak Hoeji
1994 Volume.38 No. 6 p.721 ~ p.724
Theoretical Studu of Conformations from Quinolone by Computer Graphics/Grid-Search Analysis

Abstract
According to computer graphics/Grid search analysis, [3-keto carboxylic acid of nalidixic acid which has an antibacterial activity as DNA-gyrase inhibitor has been known to have got four different conformational energy values. In orders, the energy value of conformation A,B.0 and D was -6.603, -4.114, -1.766 and 7.327 kcal/mol. The difference of energy value between conformation A and D was 13.9 kcal/mol. Usually conformation C was used in literature. However, it had a energy value of ? 1.766 kcal/mol as the result of the analysis which is about 5 kcal/mol higher than the most stable conformation A. Therefore, conformation A is expected to he more stable than conformation C.
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