Theoretical quantitative size and shape activity and selectivity analyses of 5-HT1A serotonin and α1-adrenergic receptor ligands
Articolo
Data di Pubblicazione:
1994
Citazione:
Theoretical quantitative size and shape activity and selectivity analyses of 5-HT1A serotonin and α1-adrenergic receptor ligands / De Benedetti, Pier Giuseppe; Cocchi, Marina; Menziani, Maria Cristina; Fanelli, Francesca. - In: JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM. - ISSN 0166-1280. - STAMPA. - 305:(1994), pp. 101-110. [10.1016/0166-1280(94)80145-0]
Abstract:
Quantum chemical reactivity indices and molecular modelling derived size and shape descriptors have been computed for 18 5-HT1A serotonin and alpha1-adrenergic receptor ligands. The quantitative size shape affinity selectivity relationships obtained support the general validity and versatility of the ad hoc size shape descriptors employed.
Tipologia CRIS:
Articolo su rivista
Keywords:
serotoninergic receptors; QSAR; moelcular modeling; quantum chemistry
Elenco autori:
De Benedetti, Pier Giuseppe; Cocchi, Marina; Menziani, Maria Cristina; Fanelli, Francesca
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