Acta Phys. -Chim. Sin. ›› 1995, Vol. 11 ›› Issue (10): 925-928.doi: 10.3866/PKU.WHXB19951014

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Study on the Quantitative Structure-activity Relationship of N1 Position of Quinolone

Zhu Long-Guan, Yu Qing-Sen, Chen Kai-Xian, Cai Cuo-Qiang, Lin Rui-Sen   

  1. Department of Chemistry,Zhejiang University,Hangzhou 310027|Shanghai Institute of Materia Medica,Academic Science of China,Shanghai 200031
  • Received:1994-10-01 Revised:1995-01-10 Published:1995-10-15
  • Contact: Zhu Long-Guan

Abstract:

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.

Key words: Fluoroquinolone;QSAR;CoMFA