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Ivermectin is a positive allosteric modulator (PAM) of P2X4R and this molecule exerts its action in the transmembrane region (known as the TM region) of trimeric channel structure (the pocket formed by Asp331, Met336, Trp46, Trp50, and Tyr42). The aim of this study is to identify FDA drugs with potential PAM properties, by exploring the P2X4Rs from four organisms (<jats:italic>Danio rerio<\/jats:italic>, <jats:italic>Mus musculus<\/jats:italic>, <jats:italic>Rattus norvegicus<\/jats:italic>, and <jats:italic>Homo sapiens<\/jats:italic>). The <jats:italic>in silico<\/jats:italic> study consists of carrying out the molecular docking of 1656 FDA\u2010approved drugs on the structure of P2X4R, using the commercially available compounds from the ZINC<jats:sup>15<\/jats:sup> database for virtual screening. To strengthen the reliability of the results, two docking protocols were used involving the use of two programs, Autodock 4.2 and Autodock Vina. Nine FDA drugs with potential PAM properties were identified. In addition, eight molecules with potential negative allosteric modulator (NAM) action, and 13 molecules with potential allosteric modulator (AM) action were identified. The FDA drugs identified in this study with PAM, NAM, and AM action, shared in the P2X4Rs of the four organisms, can provide a guideline to proceed with research concerning new drugs for the study and treatment of AUD.<\/jats:p>","DOI":"10.1002\/minf.201900111","type":"journal-article","created":{"date-parts":[[2020,6,8]],"date-time":"2020-06-08T17:02:22Z","timestamp":1591635742000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["In Silico Analysis of FDA Drugs as P2X4 Modulators for the Treatment of Alcohol Use Disorder"],"prefix":"10.1002","volume":"39","author":[{"given":"Francisco","family":"Reyes\u2010Espinosa","sequence":"first","affiliation":[{"name":"Laboratorio de Biotecnolog\u00eda Farmac\u00e9utica Centro de Biotecnolog\u00eda Gen\u00f3mica Instituto Polit\u00e9cnico Nacional  88710 Reynosa M\u00e9xico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mar\u00eda G.","family":"Nieto\u2010Pescador","sequence":"additional","affiliation":[{"name":"Facultad de Ciencias Qu\u00edmicas Universidad Ju\u00e1rez del Estado de Durango  34120 Durango M\u00e9xico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Virgilio","family":"Bocanegra\u2010Garc\u00eda","sequence":"additional","affiliation":[{"name":"Laboratorio de Biotecnolog\u00eda Farmac\u00e9utica Centro de Biotecnolog\u00eda Gen\u00f3mica Instituto Polit\u00e9cnico Nacional  88710 Reynosa M\u00e9xico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Eduardo","family":"Lozano\u2010Guzm\u00e1n","sequence":"additional","affiliation":[{"name":"Facultad de Ciencias Qu\u00edmicas Universidad Ju\u00e1rez del Estado de Durango  34120 Durango M\u00e9xico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9842-4167","authenticated-orcid":false,"given":"Gildardo","family":"Rivera","sequence":"additional","affiliation":[{"name":"Laboratorio de Biotecnolog\u00eda Farmac\u00e9utica Centro de Biotecnolog\u00eda Gen\u00f3mica Instituto Polit\u00e9cnico Nacional  88710 Reynosa M\u00e9xico"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2020,6,8]]},"reference":[{"key":"e_1_2_12_2_1","unstructured":"National Institute on Alcohol Abuse and Alcoholism (NIAAA). 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