Design of novel nicotinic ligands through 3D database searching.
A series of quinoline derivatives have been designed on the basis of results from a 3D search of the Cambridge Structural Database using the nicotinic pharmacophore as a query and further modified using molecular modeling. Some of the synthesized compounds show nanomolar affinity for the central nicotinic receptor on rat cerebral cortex.
Guandalini
Luca
L
Dipartimento di Scienze Farmaceutiche, Università di Firenze, via Ugo Schiff 6, I-50019 Sesto Fiorentino (FI), Italy.
Martini
Elisabetta
E
Dei
Silvia
S
Manetti
Dina
D
Scapecchi
Serena
S
Teodori
Elisabetta
E
Romanelli
M Novella
MN
Varani
Katia
K
Greco
Giovanni
G
Spadola
Loredana
L
Novellino
Ettore
E
D008401:Gas Chromatography-Mass Spectrometry; D016247:Information Storage and Retrieval; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D011804:Quinolines / Q000737:chemistry / Q000378:metabolism*; D011978:Receptors, Nicotinic / Q000378:metabolism*
D008024:Ligands; D011804:Quinolines; D011978:Receptors, Nicotinic