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Theoretical studies on the interaction of partial agonists with the 5-HT(2A) receptor.

Silva, Maria Elena ; Heim, Ralf ; Strasser, Andrea ; Elz, Sigurd ; Dove, Stefan


A series of 51 5-HT(2A) partial agonistic arylethylamines (primary or benzylamines) from different structural classes (indoles, methoxybenzenes, quinazolinediones) was investigated by fragment regression analysis (FRA), docking and 3D-QSAR approaches. The data, pEC(50) values and intrinsic activities (E(max)) on rat arteries, show high variability of pEC(50) from 4 to 10 and of E(max) from 15 to ...


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