Some influnencing structure-activity relationship of C-3 position of quinolones

LI Jiang-Bo 1);ZHANG Jing-chang 1); LIN Rui-sen 2) ;YU Qing-sen 2); CAO Wei-liang 1)*

Journal of Beijing University of Chemical Technology ›› 2000, Vol. 27 ›› Issue (3) : 85-87.

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Journal of Beijing University of Chemical Technology ›› 2000, Vol. 27 ›› Issue (3) : 85-87.
研究论文

Some influnencing structure-activity relationship of C-3 position of quinolones

  • LI Jiang-Bo 1);ZHANG Jing-chang 1); LIN Rui-sen 2) ;YU Qing-sen 2); CAO Wei-liang 1)*
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Abstract

Nalidixic acid and its analogues (with C-3 carboxyl group substituted by other groups) were optimized by molecular orbital AM1 method . The results showed that the biological activities are closely related to the steric conformation and distribution of electrostatic potential of carboxyl group: The coplanatity between the group of C-3 position and the parent nucleus and the coplanatity between the group of C-3 position and C-4 keto group are very important for biological activities. It is also important that the two oxygen atoms of C-3 carboxyl(or simulateing carboxylic acid) have strongly negative electrostatic potential at the plane of quinolone ring.

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LI Jiang-Bo 1);ZHANG Jing-chang 1); LIN Rui-sen 2) ;YU Qing-sen 2); CAO Wei-liang 1)*. Some influnencing structure-activity relationship of C-3 position of quinolones[J]. Journal of Beijing University of Chemical Technology, 2000, 27(3): 85-87

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