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KMID : 0617319940040010063
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Journal of Pharmacetical Sceiences Ewha Womans University
1994 Volume.4 No. 1 p.63 ~ p.66
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Theoretical Study of Conformations from Quinolone by Computer Graphics/Grid-Search Analysis
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Abstract
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According to computer graphics/Grid search analysis, ß-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.C and D was -6.603, -4.114, -1.766 and 7.327 ㎉/㏖. The difference of energy value between conformation A and D was 13.9 ㎉/㏖. Usually conformation C was used in literature. However, it had a energy value of -1.766 ㎉/㏖ as the result of the analysis which is about 5 ㎉/㏖ higher than the most stable conformation A. Therefore, conformation A is expected to be more stable than conformation C.
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