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Dopamine\u2010related therapies are in current development for individuals with dopamine\u2010related disorders including depression, Parkinson's disease, and psychostimulant addictions such as cocaine abuse. Yet, most efforts to develop new dopamine therapies are within costly structure\u2013activity relationship studies. Through structure\u2010based drug design techniques, the binding site of <jats:styled-content style=\"fixed-case\">hDAT<\/jats:styled-content> can be utilized to develop novel selective and potent dopamine therapies at reduced costs. However, no structural models of <jats:styled-content style=\"fixed-case\">hDAT<\/jats:styled-content> specifically validated for rational drug design purposes currently exist. Here, using the <jats:italic>Drosophila<\/jats:italic> dopamine transporter as a template, a homology model for the hDAT was developed and validated. The model was able to reproduce experimental binding modes with great accuracy, was able to rank inhibitors in the correct order of increasing potency with an <jats:italic>R<\/jats:italic><jats:sup>2<\/jats:sup> value of 0.81 for the test set, and it also outperformed other published <jats:styled-content style=\"fixed-case\">hDAT<\/jats:styled-content> models. Thus, the model can be used reliably in structure\u2010based drug design projects.<\/jats:p>","DOI":"10.1111\/cbdd.13495","type":"journal-article","created":{"date-parts":[[2019,2,5]],"date-time":"2019-02-05T18:52:35Z","timestamp":1549392755000},"page":"700-711","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["A high\u2010quality homology model for the human dopamine transporter validated for drug design purposes"],"prefix":"10.1111","volume":"93","author":[{"given":"Matthew C.","family":"Castellana","sequence":"first","affiliation":[{"name":"Department of Biological and Allied Health Sciences Ohio Northern University  Ada Ohio"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Andrea","family":"Castellar Montes","sequence":"additional","affiliation":[{"name":"Faculty of Pharmacy University of Valencia  Rafelbunyol Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jon E.","family":"Sprague","sequence":"additional","affiliation":[{"name":"Center for the Future of Forensic Sciences Bowling Green State University  Bowling Green Ohio"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0296-3316","authenticated-orcid":false,"given":"Tarek M.","family":"Mahfouz","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical and Biomedical Sciences Raabe College of Pharmacy Ohio Northern University  Ada Ohio"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2019,2,20]]},"reference":[{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2836(05)80360-2"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bti770"},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.mam.2012.07.002"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1749-6632.2002.tb04154.x"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.235"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.tins.2007.03.006"},{"key":"e_1_2_8_8_1","doi-asserted-by":"publisher","DOI":"10.1001\/archpsyc.64.3.327"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2009.04.006"},{"key":"e_1_2_8_10_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.str.2015.09.001"},{"key":"e_1_2_8_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejphar.2003.08.060"},{"key":"e_1_2_8_12_1","first-page":"442","article-title":"Drug interactions with the dopamine transporter in cryopreserved human caudate","volume":"296","author":"Eshleman A. 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