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Therefore, they have been considered pharmacological targets for treating metabolic diseases, such as dyslipidemia, atherosclerosis, and non-alcoholic fatty liver disease. However, the available synthetic ligands of PPARs have mild to significant side effects, generating the necessity to identify new molecules that are selective PPAR ligands with specific biological responses. This study aimed to evaluate some components of the atheroprotective and hepatoprotective HB-ATV-8 nanoparticles [the amphipathic peptide Helix-Y12, thermozeaxanthin, thermozeaxanthin-13, thermozeaxanthin-15, and a set of glycolipids], as possible ligands of PPARs through blind molecular docking. According to the change in free energy upon protein\u2013ligand binding, \u2206Gb, thermozeaxanthins show a more favorable interaction with PPARs, followed by Helix-Y12. Moreover, Helix-Y12 interacts with most parts of the Y-shaped ligand-binding domain (LBD), surrounding helix 3 of PPARs, and reaching helix 12 of PPAR\u03b1 and PPAR\u03b3. As previously reported for other ligands, Tyr314 and Tyr464 of PPAR\u03b1 interact with Helix-Y12 through hydrogen bonds. Several PPAR\u03b1\u2019s amino acids are involved in the ligand binding by hydrophobic interactions. Furthermore, we identified additional PPARs\u2019 amino acids interacting with Helix-Y12 through hydrogen bonds still not reported for known ligands. Our results show that, from the studied ligand set, the Helix-Y12 peptide and Tzeaxs have the most significant probability of binding to the PPARs\u2019 LBD, suggesting novel ligands for PPARs.<\/jats:p>","DOI":"10.1155\/2023\/8047378","type":"journal-article","created":{"date-parts":[[2023,4,15]],"date-time":"2023-04-15T20:50:06Z","timestamp":1681591806000},"page":"1-15","source":"Crossref","is-referenced-by-count":3,"title":["Peptide Helix-Y12 as Potential Effector for Peroxisome Proliferator-Activated Receptors"],"prefix":"10.1155","volume":"2023","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0060-6486","authenticated-orcid":true,"given":"Mauricio","family":"Carrillo-Tripp","sequence":"first","affiliation":[{"name":"Biomolecular Diversity Laboratory, Centro de Investigaci\u00f3n y de Estudios Avanzados del Instituto Polit\u00e9cnico Nacional, Unidad Monterrey, V\u00eda del Conocimiento 201, PIIT, C.P. 66600, Apodaca, Nuevo Le\u00f3n, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0004-3912-4999","authenticated-orcid":true,"given":"Yair","family":"Reyes","sequence":"additional","affiliation":[{"name":"Metabolic Diseases Laboratory, Centro de Investigaci\u00f3n y de Estudios Avanzados del Instituto Polit\u00e9cnico Nacional, Unidad Monterrey, V\u00eda del Conocimiento 201, PIIT, C.P. 66600, Apodaca, Nuevo Le\u00f3n, Mexico"},{"name":"Universidad Polit\u00e9cnica de Puebla, Tercer Carril del Ejido, Serrano s\/n, Cuanal\u00e1, C.P. 7264, Puebla, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6822-3302","authenticated-orcid":true,"given":"Blanca","family":"Delgado-Coello","sequence":"additional","affiliation":[{"name":"Instituto de Fisiolog\u00eda Celular, Universidad Nacional Aut\u00f3noma de M\u00e9xico, C.P. 04510, CDMX, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8007-6993","authenticated-orcid":true,"given":"Jaime","family":"Mas-Oliva","sequence":"additional","affiliation":[{"name":"Instituto de Fisiolog\u00eda Celular, Universidad Nacional Aut\u00f3noma de M\u00e9xico, C.P. 04510, CDMX, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9871-0200","authenticated-orcid":true,"given":"Roxana","family":"Guti\u00e9rrez-Vidal","sequence":"additional","affiliation":[{"name":"Metabolic Diseases Laboratory, Centro de Investigaci\u00f3n y de Estudios Avanzados del Instituto Polit\u00e9cnico Nacional, Unidad Monterrey, V\u00eda del Conocimiento 201, PIIT, C.P. 66600, Apodaca, Nuevo Le\u00f3n, Mexico"},{"name":"Programa de Investigadoras e Investigadores por M\u00e9xico, Conacyt, CDMX, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","reference":[{"key":"1","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.med.53.082901.104018"},{"key":"2","doi-asserted-by":"publisher","DOI":"10.1038\/nri912"},{"key":"3","doi-asserted-by":"publisher","DOI":"10.2217\/fca-2017-0019"},{"key":"4","doi-asserted-by":"publisher","DOI":"10.1161\/01.ATV.19.3.546"},{"key":"5","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.272.12.8071"},{"key":"6","doi-asserted-by":"publisher","DOI":"10.1172\/JCI119424"},{"key":"7","doi-asserted-by":"publisher","DOI":"10.1007\/s000110050622"},{"key":"8","doi-asserted-by":"publisher","DOI":"10.1007\/s00418-007-0279-5"},{"key":"9","doi-asserted-by":"publisher","DOI":"10.1124\/mol.112.079285"},{"key":"10","doi-asserted-by":"publisher","DOI":"10.1016\/j.tips.2015.06.010"},{"key":"11","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbalip.2007.02.013"},{"key":"12","doi-asserted-by":"publisher","DOI":"10.1161\/CIRCRESAHA.111.253658"},{"key":"13","doi-asserted-by":"publisher","DOI":"10.1016\/j.pharmthera.2017.05.011"},{"key":"14","doi-asserted-by":"publisher","DOI":"10.1016\/j.tem.2012.05.001"},{"key":"15","doi-asserted-by":"publisher","DOI":"10.1002\/j.1460-2075.1996.tb00918.x"},{"key":"16","doi-asserted-by":"publisher","DOI":"10.1007\/s40256-017-0220-9"},{"key":"17","doi-asserted-by":"publisher","DOI":"10.1016\/j.vph.2005.11.014"},{"key":"18","doi-asserted-by":"publisher","DOI":"10.1016\/j.fct.2019.110811"},{"key":"19","doi-asserted-by":"publisher","DOI":"10.1016\/j.mvr.2021.104217"},{"key":"20","doi-asserted-by":"publisher","DOI":"10.1016\/j.metabol.2020.154338"},{"key":"21","doi-asserted-by":"publisher","DOI":"10.1002\/hep.25645"},{"key":"22","doi-asserted-by":"publisher","DOI":"10.3389\/fendo.2018.00473"},{"key":"23","doi-asserted-by":"publisher","DOI":"10.1007\/s00125-013-2920-2"},{"key":"24","doi-asserted-by":"crossref","first-page":"206","DOI":"10.3389\/fimmu.2016.00206","article-title":"Multiple targets of salicylic acid and its derivatives in plants and animals","volume":"7","author":"D. 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