四川大学学报（自然科学版）2001，Vol.38Issue(2)：220-225,6.
单环β-内酰胺对大肠杆菌受体作用三维构效关系的比较分子力场分析(CoMFA)
COMPARETIVE MOLECULE FORCE FIELD ANALYSIS (CoMFA) STUDY OF MONOCYCLIC β-LACTAM AGAINST E. Coli. RECEIPTER
胡键 1李恒光 2吴彤 2谢如刚 1吕丁2
作者信息
- 1. 四川大学化学学院,
- 2. 四川抗菌素工业研究所,
- 折叠
摘要
Abstract
To simulate the potential field mold of interaction between the active part of receptor and ligands, study in further the structure-activity relation in 3D, so as to direct new compounds design and synthesis. According to the principle of active analogues with similarity structure, Comparative Molecular Force Field Analysis (CoMFA) has been used to study the 3-dimension quantitative structure activity relationship (3D-QSAR) of 26 monocyclic beta-lactam. Established and simulated the fields of steric and electrostatic mold of receptor penicillin binding proteins (PBPs) interact with E. Coli. This mold is profitable to direct the design of novel compounds.关键词
β-内酰胺抗生素/3D-定量构效关系/比较分子力场分析(CoMFA)分类
医药卫生引用本文复制引用
胡键,李恒光,吴彤,谢如刚,吕丁..单环β-内酰胺对大肠杆菌受体作用三维构效关系的比较分子力场分析(CoMFA)[J].四川大学学报（自然科学版）,2001,38(2):220-225,6.
