摘要
目的 :研究某些杜鹃花科植物毒素的毒性与电子结构之间的关系。方法 :应用Fortran语言编制的INDO程序 ,对杜鹃花科植物毒素进行量子化学计算。结果 :获得相关分子轨道、电荷分布和分子静电势的信息。结论 :分析得知 ,2 ,3-环氧基团是最重要的负电中心 ;解释了团花毒素毒性高于木毒素Ⅲ、6 -O
Aim To study the relationship between toxicity and electronic structure of some Ericaceous toxins.Methods Calculating the quantum chemistry properties of some Ericaceous toxins by using INDO method.Results Obtainning the information of molecular orbitals,charge distribution and molecular electrostatic potential.Conclusions The 2,3-epoxy group is the most important negative charge center in the molecules. The reason that Rhodoanthin is more toxic than Asebotoxin Ⅲ and Rhodojaponin Ⅲ 6-propinate is more toxic than RhodojaponinⅡwere explained.
出处
《解放军药学学报》
CAS
2000年第4期175-178,共4页
Pharmaceutical Journal of Chinese People's Liberation Army
