物理化学学报 >> 1995, Vol. 11 >> Issue (10): 925-928.doi: 10.3866/PKU.WHXB19951014

研究简报 上一篇    下一篇

喹诺酮类N1位定量构效关系研究

朱龙观, 俞庆森, 陈凯先, 蔡国强, 林瑞森   

  1. 浙江大学化学系,杭州 310027|中国科学院上海药物研究所,上海 200031
  • 收稿日期:1994-10-01 修回日期:1995-01-10 发布日期:1995-10-15
  • 通讯作者: 朱龙观

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

关键词: 氟喹诺酮类化合物, 定量构效关系, 比较分子立场分析

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