摘要
平衡能力指维持身体姿势处于一切静态与动态活动的基础能力。为研究30种苯二氮[艹卓]噁唑衍生物对雄性小鼠平衡能力(pH)的定量构效关系(QSAR),按照分子的拓扑环境编程计算了上述化合物的电性距离矢量(MD)。通过最佳变量子集回归方法,建立了平衡活性(pH)的五参数(M6、M46、M25、M63和M70)QSAR模型.经R^2cv、F诊断,显示良好的相关性和预测能力。根据进入模型的5个变量可知,影响苯二氮[艹卓]噁唑衍生物对雄性小鼠平衡活性的主要因素是-CH3、-CH2-、>C<、-NH-、-N<、-X等微观基团。
Balance ability is the basic ability of all static and dynamic activities.In order to study the quantitative structure-activity relationship(QSAR) of the balance activity(pH) for 30 benzodiazepinooxazole derivatives to male mice,the molecular electronegativity distance vector(MD) of above compounds was calculated by program according to molecular topological environment in this paper.The five-variable(M6,M46,M25,M63,M70) QSAR model of pH for the compounds was constructed by using Leaps-and-Bounds regression method.The result demonstrates that the model is relationship and good prediction ability by using R■,F tests.Form the five parameters of the model,it is known that the dominant influence factors of increased anti-fighting activity are the microscopic fragments:-CH3,-CH2-,>C<,-NH-,-N< and-X in the molecules.
作者
朱利兰
杜少辉
梁小莉
Zhu Lilan;Du Shaohui;Liang Xiaoli(Department of Physical Education,Guangdong Industry Polytechnic,Guangzhou 510300,China)
出处
《山东化工》
CAS
2019年第24期115-116,118,共3页
Shandong Chemical Industry
基金
广东轻工职业技术学院自然科学基金(KJ2019-032)
关键词
苯二氮[艹卓]噁唑衍生物
雄性小鼠
平衡活性
电性距离矢量
构效关系
benzodiazepinooxazole derivative
male mice
balance activity
molecular electronegativity distance vector(M_D)
quantitative structure-activity relationship(QSAR)
