title: Applying a multitarget rational drug design strategy: the first set of modulators with potent and balanced activity toward dopamine D3 receptor and fatty acid amide hydrolase.
abstract: Combining computer-assisted drug design and synthetic efforts, we generated compounds with potent and balanced activities toward both D3 dopamine receptor and fatty acid amide hydrolase (FAAH) enzyme. By concurrently modulating these targets, our compounds hold great potential toward exerting a disease-modifying effect on nicotine addiction and other forms of compulsive behavior.
authors.affiliation: Dept. of Drug Discovery and Development, Istituto Italiano di Tecnologia, via Morego n.30, 16163 Genova, Italy. giovanni.bottegoni@iit.it.
authors.forename: Alessio
authors.initials: A
authors.lastname: De Simone
authors.forename: Gian Filippo
authors.initials: GF
authors.lastname: Ruda
authors.forename: Clara
authors.initials: C
authors.lastname: Albani
authors.forename: Glauco
authors.initials: G
authors.lastname: Tarozzo
authors.forename: Tiziano
authors.initials: T
authors.lastname: Bandiera
authors.forename: Daniele
authors.initials: D
authors.lastname: Piomelli
authors.forename: Andrea
authors.initials: A
authors.lastname: Cavalli
authors.forename: Giovanni
authors.initials: G
authors.lastname: Bottegoni
mesh_terms: D000581:Amidohydrolases / Q000037:antagonists & inhibitors* / Q000378:metabolism; D000818:Animals; D001665:Binding Sites; D018491:Dopamine Agonists / Q000737:chemistry / Q000378:metabolism; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000737:chemistry / Q000378:metabolism; D006801:Humans; D062105:Molecular Docking Simulation; D011485:Protein Binding; D017434:Protein Structure, Tertiary; D051381:Rats; D050637:Receptors, Dopamine D3 / Q000819:agonists* / Q000378:metabolism; D000099252:Fatty Acid Amide Hydrolases
chemical_list: D000581:Amidohydrolases; D018491:Dopamine Agonists; D004791:Enzyme Inhibitors; D050637:Receptors, Dopamine D3; D000099252:Fatty Acid Amide Hydrolases