First pharmacophoric hypothesis for 5-HT7 antagonism.
In order to make the first contribution to the elucidation of essential structural features for 5-HT7 antagonism, a set of thirty 5-HT7 antagonists were selected from the literature. A pharmacophore model was built using Molecular Modeling studies with Catalyst program. The information contained in this model was validated with new synthesized compounds.
López-Rodríguez
M L
ML
Departamento de Química Orgánica I, Facultad de Ciencias Químicas, Universidad Complutense, Madrid, Spain. mluzlr@eucmax.sim.ucm.es
Porras
E
E
Benhamú
B
B
Ramos
J A
JA
Morcillo
M J
MJ
Lavandera
J L
JL
D000818:Animals; D002462:Cell Membrane / Q000378:metabolism; D015195:Drug Design; D004353:Drug Evaluation, Preclinical / Q000379:methods; D007031:Hypothalamus / Q000187:drug effects / Q000378:metabolism; D008958:Models, Molecular; D051381:Rats; D011985:Receptors, Serotonin / Q000737:chemistry / Q000187:drug effects / Q000378:metabolism*; D015203:Reproducibility of Results; D012702:Serotonin Antagonists / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology*; D013329:Structure-Activity Relationship
D011985:Receptors, Serotonin; D012702:Serotonin Antagonists; C104425:serotonin 7 receptor