四川师范大学学报（自然科学版）2001，Vol.24Issue(3)：277-279,3.
在水溶液中单环β-内酰胺抗生素结构与活性关系的量子化学计算
Quantum Chemistry Study of Structure-activity Relationship of Monocycle β-lactam Antibiotics in Aqueous Solution
摘要
Abstract
β-lactam antibiotics have been highly emphasized in theoretic research and practical synthesis for long time which are always the main drugs used in the clinical treatment of bacterial diseases.In this paper,AM1 method of quantum chemistry has been employed to optimize the molecular geometry.The structure-activity relationship in 5 kinds of monocycle-β-lactam antibiotics in aqueous solution is systematically studied.It shows that the dissolution of monocycle β-lactam antibiotics in water is exothermic,and the activity area of monocycle-β-lactam antibiotics is amide tetra-atomic ring.关键词
单环β-内酰胺抗生素/结构与活性/AM1方法分类
化学化工引用本文复制引用
吕申壮..在水溶液中单环β-内酰胺抗生素结构与活性关系的量子化学计算[J].四川师范大学学报（自然科学版）,2001,24(3):277-279,3.
