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.
Design of novel nicotinic ligands through 3D database searching / Guandalini, Luca; Martini, Elisabetta; Dei, Silvia; Manetti, Dina; Scapecchi, Serena; Teodori, Elisabetta; Romanelli, MARIA NOVELLA; Varani, K.; Greco, G.; Spadola, L.; Novellino, E.. - In: BIOORGANIC & MEDICINAL CHEMISTRY. - ISSN 0968-0896. - STAMPA. - 13:(2005), pp. 799-807. [10.1016/j.bmc.2004.10.039]
Design of novel nicotinic ligands through 3D database searching
GUANDALINI, LUCA;MARTINI, ELISABETTA;DEI, SILVIA;MANETTI, DINA;SCAPECCHI, SERENA;TEODORI, ELISABETTA;ROMANELLI, MARIA NOVELLA;
2005
Abstract
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.
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