{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,24]],"date-time":"2026-08-24T22:33:02Z","timestamp":1787610782117,"version":"build-2736575974"},"reference-count":30,"publisher":"Wiley","issue":"4","license":[{"start":{"date-parts":[[2013,3,28]],"date-time":"2013-03-28T00:00:00Z","timestamp":1364428800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Chem Biol Drug Des"],"published-print":{"date-parts":[[2013,4]]},"abstract":"<jats:p>Trace amine\u2010associated receptor 1 (TAAR1) is a G protein\u2013coupled receptor that belongs to the family of TAAR receptors and responds to a class of compounds called trace amines, such as \u03b2\u2010phenylethylamine (<jats:bold>\u03b2\u2010PEA<\/jats:bold>) and 3\u2010iodothyronamine (<jats:bold>T<\/jats:bold><jats:sub><jats:bold>1<\/jats:bold><\/jats:sub><jats:bold>AM<\/jats:bold>). The receptor is known to have a very rich pharmacology and could be also activated by other classes of compounds, including adrenergic and serotonergic ligands. It is expected that targeting TAAR1 could provide a novel pharmacological approach to correct monoaminergic dysfunctions found in several brain disorders, such as schizophrenia, depression, attention deficit hyperactivity disorder and Parkinson\u2019s disease. Only recently, the first selective TAAR1 agonist <jats:bold>RO5166017<\/jats:bold> has been identified. To explore the molecular mechanisms of protein\u2013agonist interaction and speed up the identification of new chemical entities acting on this biomolecular target, we derived a homology model for the <jats:italic>h<\/jats:italic>TAAR1. The putative protein\u2010binding site has been explored by comparing the <jats:italic>h<\/jats:italic>TAAR1 model with the \u03b2<jats:sub>2<\/jats:sub>\u2010adrenoreceptor binding site, available by X\u2010ray crystallization studies, and with the homology modelled 5HT<jats:sub>1A<\/jats:sub> receptor. The obtained results, in tandem with docking studies performed with <jats:bold>RO5166017<\/jats:bold>, <jats:bold>\u03b2\u2010PEA<\/jats:bold> and <jats:bold>T<\/jats:bold><jats:sub><jats:bold>1<\/jats:bold><\/jats:sub><jats:bold>AM<\/jats:bold>, provided an opportunity to reasonably identify the <jats:italic>h<\/jats:italic>TAAR1 key residues involved in ligand recognition and thus define important starting points to design new agonists.<\/jats:p>","DOI":"10.1111\/cbdd.12018","type":"journal-article","created":{"date-parts":[[2012,8,8]],"date-time":"2012-08-08T14:49:25Z","timestamp":1344437365000},"page":"509-516","source":"Crossref","is-referenced-by-count":56,"title":["Insights into the Structure and Pharmacology of the Human Trace Amine\u2010Associated Receptor 1 (<i>h<\/i>TAAR1): Homology Modelling and Docking Studies"],"prefix":"10.1111","volume":"81","author":[{"given":"Elena","family":"Cichero","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Stefano","family":"Espinoza","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Raul R.","family":"Gainetdinov","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Livio","family":"Brasili","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Paola","family":"Fossa","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2013,3,28]]},"reference":[{"key":"e_1_2_7_2_2","doi-asserted-by":"publisher","DOI":"10.1111\/j.1471-4159.2004.02501.x"},{"key":"e_1_2_7_3_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.151105198"},{"key":"e_1_2_7_4_2","doi-asserted-by":"publisher","DOI":"10.1124\/mol.60.6.1181"},{"key":"e_1_2_7_5_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.tips.2005.03.007"},{"key":"e_1_2_7_6_2","doi-asserted-by":"publisher","DOI":"10.1124\/mol.108.048884"},{"key":"e_1_2_7_7_2","doi-asserted-by":"publisher","DOI":"10.1038\/sj.bjp.0706948"},{"key":"e_1_2_7_8_2","doi-asserted-by":"publisher","DOI":"10.1038\/nm1051"},{"key":"e_1_2_7_9_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.pharmthera.2007.06.007"},{"key":"e_1_2_7_10_2","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0013452"},{"key":"e_1_2_7_11_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2008.06.009"},{"key":"e_1_2_7_12_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.chembiol.2008.03.004"},{"key":"e_1_2_7_13_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0906522106"},{"key":"e_1_2_7_14_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1103029108"},{"key":"e_1_2_7_15_2","doi-asserted-by":"publisher","DOI":"10.1124\/jpet.106.116863"},{"key":"e_1_2_7_16_2","doi-asserted-by":"publisher","DOI":"10.1124\/jpet.107.135079"},{"key":"e_1_2_7_17_2","doi-asserted-by":"publisher","DOI":"10.1124\/mol.111.073304"},{"key":"e_1_2_7_18_2","doi-asserted-by":"publisher","DOI":"10.1124\/jpet.107.132647"},{"key":"e_1_2_7_19_2","doi-asserted-by":"publisher","DOI":"10.1124\/mol.109.055970"},{"key":"e_1_2_7_20_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.parkreldis.2008.04.006"},{"key":"e_1_2_7_21_2","doi-asserted-by":"publisher","DOI":"10.1038\/nature09665"},{"key":"e_1_2_7_22_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2010.05.023"},{"key":"e_1_2_7_23_2","doi-asserted-by":"publisher","DOI":"10.1021\/jm200421e"},{"key":"e_1_2_7_24_2","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.45"},{"key":"e_1_2_7_25_2","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.235"},{"key":"e_1_2_7_26_2","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2836(92)90964-L"},{"key":"e_1_2_7_27_2","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1995.0540"},{"key":"e_1_2_7_28_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00124a002"},{"key":"e_1_2_7_29_2","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1996.0859"},{"key":"e_1_2_7_30_2","doi-asserted-by":"publisher","DOI":"10.1002\/pro.5560060807"},{"key":"e_1_2_7_31_2","doi-asserted-by":"publisher","DOI":"10.1021\/jm050826h"}],"container-title":["Chemical Biology &amp; 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