中华医学超声杂志

应用化学 ›› 1995, Vol. 0 ›› Issue (1): 59-62.

• 研究论文 • 上一篇    下一篇

甾族化合物的构象与活性关系

许禄, 姚瑜元   

  1. 中国科学院长春应用化学研究所应用谱学实验室, 长春 130022
  • 收稿日期:1994-03-14 修回日期:1994-06-15 出版日期:1995-02-10 发布日期:1995-02-10

The Kelationship Between Activities and Conformations of Steroids

Xu Lu, Yao Yuyuan   

  1. Changchun Institute of Applied chemistry, Chinese Academy of Sciences, Changchun 130022
  • Received:1994-03-14 Revised:1994-06-15 Published:1995-02-10 Online:1995-02-10

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摘要： 用分子力学方法对甾族抗炎药物进行了构象分析,并研究了该类化合物的构象与活性的相关性.结果表明,不仅在特定位置上的取代,而且氧原子的空间位置及空间能均是影响该类化合物活性的重要因素.

关键词: 甾族化合物, 活性构象, 分子力学

Abstract: The molecular mechnics calculation has been performed for conformation analysisof steroids, The results reveal that there are two factors which importantly influence the ac-tivity of the steroids,namely the specific substitution sites(R1 and R2) and the steric posi-tion and energy of oxygen atoms in the compounds.

Key words: steroid, activity conformation, molecular mechanics

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