title: Charting the chemical space around the (iso)indoline scaffold, a comprehensive approach towards multitarget directed ligands.
abstract: Within the framework of orthosteric G protein coupled receptor (GPCR) polypharmacology herein we report the systematic elaboration and thorough evaluation of a data matrix generated by sampling the chemical space around a common 5,6-fused bicyclic heteroaromatic template applying characteristic pharmacophore elements of central nervous system (CNS) relevant aminergic GPCR ligands.
authors: Gedeon Richter Plc, Budapest 10, PO Box 27, H-1475, Hungary. Electronic address: elias@richter.hu.
authors: Olivér
authors: O
authors: Éliás
authors: Gedeon Richter Plc, Budapest 10, PO Box 27, H-1475, Hungary.
authors: Zoltán
authors: Z
authors: Kovács
authors: Gedeon Richter Plc, Budapest 10, PO Box 27, H-1475, Hungary.
authors: Gábor
authors: G
authors: Wágner
authors: Gedeon Richter Plc, Budapest 10, PO Box 27, H-1475, Hungary.
authors: Zsolt
authors: Z
authors: Némethy
authors: Gedeon Richter Plc, Budapest 10, PO Box 27, H-1475, Hungary.
authors: Ákos
authors: Á
authors: Tarcsay
authors: Gedeon Richter Plc, Budapest 10, PO Box 27, H-1475, Hungary.
authors: István
authors: I
authors: Greiner
mesh_terms: D006801:Humans; D007211:Indoles / Q000737:chemistry* / Q000378:metabolism; D008024:Ligands; D011485:Protein Binding; D017448:Receptors, Dopamine D2 / Q000737:chemistry / Q000378:metabolism; D050637:Receptors, Dopamine D3 / Q000737:chemistry / Q000378:metabolism; D043562:Receptors, G-Protein-Coupled / Q000737:chemistry / Q000378:metabolism; D018100:Receptors, Histamine H3 / Q000737:chemistry / Q000378:metabolism; D011985:Receptors, Serotonin / Q000737:chemistry / Q000378:metabolism; D013329:Structure-Activity Relationship
chemical_list: D007211:Indoles; D008024:Ligands; D017448:Receptors, Dopamine D2; D050637:Receptors, Dopamine D3; D043562:Receptors, G-Protein-Coupled; D018100:Receptors, Histamine H3; D011985:Receptors, Serotonin; C097216:serotonin 6 receptor; C057812:indoline
keywords: Designed multiple ligands; Dopamine D(2)/D(3) receptors; Histamine H(3) receptors; Multitarget directed ligands; Polypharmacology; Serotonin 5-HT(6) receptors