Citation: Zhu Long-Guan, Yu Qing-Sen, Chen Kai-Xian, Cai Cuo-Qiang, Lin Rui-Sen. Study on the Quantitative Structure-activity Relationship of N1 Position of Quinolone[J]. Acta Physico-Chimica Sinica, ;1995, 11(10): 925-928. doi: 10.3866/PKU.WHXB19951014
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The steric and electrostatic effects of N1 substituted groups of fluoroquinolones and the way to find the new group with high activities by Comparative Molecular Field Analysis (CoMFA) have been studied. The results indicated that: (1) The activity of N1 position was mainly determinted by the steric effect, but the electrostatic effect is also important; (2) No new N1 substituted group with higher activity was found from the coefficient plots of CoMFA, which reflected the experimental results of late of years.
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Keywords:
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Fluoroquinolone;QSAR;CoMFA
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