Based on the ab initio STO-3G method including geometry optimization, a conformational analysis of the bipyridine cardiotonics amrinone and milrinone was performed. The results indicate a considerably twisted structure for both molecules. The higher rotation and, above all, the limited conformational flexibility of milrinone are suggested to be of significant importance in explaining its greater cardiotonic potency compared with amrinone.
On the conformational structure of amrinone and milrinone
CIMIRAGLIA, Renzo
1987
Abstract
Based on the ab initio STO-3G method including geometry optimization, a conformational analysis of the bipyridine cardiotonics amrinone and milrinone was performed. The results indicate a considerably twisted structure for both molecules. The higher rotation and, above all, the limited conformational flexibility of milrinone are suggested to be of significant importance in explaining its greater cardiotonic potency compared with amrinone.File in questo prodotto:
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