Acta Phys. -Chim. Sin. ›› 1995, Vol. 11 ›› Issue (12): 1089-1092.doi: 10.3866/PKU.WHXB19951206

• ARTICLE • Previous Articles     Next Articles

The Structure-activity Relationship of a Series of Nereistoxin Compounds and Isomers

Shi Hong-Yun,Wang Yi-Bo,Deng Jie,Zhang Yun-Qian,Zhang Tao   

  1. Department of Chemistry,Guizhou University,Guiyang 550025
  • Received:1995-03-02 Revised:1995-06-22 Published:1995-12-15
  • Contact: Shi Hong-Yun


Geometries and electronic properties of a series of nereistoxin compounds and isomer, dihydronereistoxin, dithiocyanate ester, padan and sha chong dan have been calculated using MNDO- PM3 method. The relationship of molecular geometries, electronic properties and biological activities of these compounds is discussed in the article.

Key words: Nereistoxin compound, MNDO-PM3, Geometries, Electronic properties