摘要
用半经验的量子力学计算方法AM1对14β-[对硝基肉桂酰胺]吗啡酮、14β-[对硝基肉桂酰胺]-7,8二吗啡酮及其衍生物进行了计算,探讨了此类化合物的构效关系,得到QSAR关系式。
Morphinone and its analoues have been optimizied with quantum chemical method AM1 using MOPAC software package implemented on SGI workstation. Atomic charge density and other structural parameters have been derived. QSAR for three different opioid receptors-μ,δ,κ have been built up using the least square statistics method.
出处
《中国科学院研究生院学报》
CAS
CSCD
1997年第1期30-34,共5页
Journal of the Graduate School of the Chinese Academy of Sciences
基金
中国科学院所长择优基金
