Prediction on Inhibitory Activitv of Aminoauinolines on Malaria bv HMEDV
- VernacularTitle:HMEDV描述法对氨基喹啉类抗疟药活性预测
- Author:
Liping ZHOU
- Publication Type:Journal Article
- Keywords:
Medicinal chemistry;
Quantitative Structure -Activity Relationship;
Hydrogen-association classified molecular electron-egativity - distance vector ( MEDV);
Antiplasmodial activities;
Aminoquinolines
- From:
Journal of Chongqing Medical University
2003;0(06):-
- CountryChina
- Language:Chinese
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Abstract:
Objective: Study the relationship between the activity and structural parameters of aminoquinolines. Methods: A new type of topological indices, called the hydrogen - association classified molecular electrongativity - distance vector ( H - MEDV) developed in our laboratory, has been used to describe the chemical structure of 40 aminoquinolines. Reasonable molecular modeling results were achieved by a multiple linear regression ( MLR). Results; For two sets of aminoquinolines, the correlation coefficient ( R) between the estimated and the observed activities were 0.920 and 0.910 respectively. Conclusion; Hie results suggest the estimation stability and predictive ability of the model based on the H - MEDV descriptors.
