AM1 theoretical molecular descriptors were computed for prazosin analogues (2-substituted 4-amino-6,7-dimethoxy derivatives of quinazoline, quinoline and isoquinoline) and and correlated with both their experimental acidity constants and alpha-1-adrenoceptor binding affinity data values. The results confirm the crucial role of the N1 protonated form of these derivatives for a selective and productive binding interaction with the alpha-1 adrenergic receptor.
MOLECULAR-ORBITAL STUDY OF THE NITROGEN BASICITY OF PRAZOSIN ANALOGS IN RELATION TO THEIR ALPHA-1-ADRENOCEPTOR BINDING-AFFINITY / DE BENEDETTI, Pier Giuseppe; Menziani, Maria Cristina; Rastelli, Giulio; Cocchi, Marina. - In: JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM. - ISSN 0166-1280. - STAMPA. - 233:(1991), pp. 343-351. [10.1016/0166-1280(91)85073-G]
MOLECULAR-ORBITAL STUDY OF THE NITROGEN BASICITY OF PRAZOSIN ANALOGS IN RELATION TO THEIR ALPHA-1-ADRENOCEPTOR BINDING-AFFINITY
DE BENEDETTI, Pier Giuseppe;MENZIANI, Maria Cristina;RASTELLI, Giulio;COCCHI, Marina
1991
Abstract
AM1 theoretical molecular descriptors were computed for prazosin analogues (2-substituted 4-amino-6,7-dimethoxy derivatives of quinazoline, quinoline and isoquinoline) and and correlated with both their experimental acidity constants and alpha-1-adrenoceptor binding affinity data values. The results confirm the crucial role of the N1 protonated form of these derivatives for a selective and productive binding interaction with the alpha-1 adrenergic receptor.
Pubblicazioni consigliate
I metadati presenti in IRIS UNIMORE sono rilasciati con licenza Creative Commons CC0 1.0 Universal, mentre i file delle pubblicazioni sono rilasciati con licenza Attribuzione 4.0 Internazionale (CC BY 4.0), salvo diversa indicazione.
In caso di violazione di copyright, contattare Supporto Iris
