{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,27]],"date-time":"2026-03-27T04:24:35Z","timestamp":1774585475341,"version":"3.50.1"},"reference-count":49,"publisher":"Wiley","issue":"11","license":[{"start":{"date-parts":[[2025,7,16]],"date-time":"2025-07-16T00:00:00Z","timestamp":1752624000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemistryOpen"],"published-print":{"date-parts":[[2025,11]]},"abstract":"<jats:p>\n                    Dengue, classified as a neglected tropical disease and transmitted by\n                    <jats:italic>Aedes<\/jats:italic>\n                    mosquitoes, remains a significant global health challenge, often evolving into severe clinical manifestations such as hemorrhagic fever. Despite its widespread impact, no antiviral therapy has been approved to date, highlighting the urgent need for effective and accessible treatment options. In the present work, computational analysis is performed on an in\u2010house library of easily synthesized caffeic acid phenethyl ester analogs, which exhibit potential activity against the viral envelope (E) protein, a critical mediator of dengue virus entry and membrane fusion. Among them, LQM778 demonstrated consistent stability within the protein\u2013ligand complex during molecular dynamics simulations. This finding provides a foundation for in\u2009vitro studies and future structural optimizations that could transform the landscape of antiviral development against dengue.\n                  <\/jats:p>","DOI":"10.1002\/open.202500107","type":"journal-article","created":{"date-parts":[[2025,7,17]],"date-time":"2025-07-17T04:01:34Z","timestamp":1752724894000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["\u201cMolecular Docking and Dynamic Studies of Amide Derivatives from Cinnamic Acid with Potential Anti\u2010Dengue Virus Activity\u201d"],"prefix":"10.1002","volume":"14","author":[{"ORCID":"https:\/\/orcid.org\/0009-0004-8687-4143","authenticated-orcid":false,"given":"Luis Alfonso","family":"C\u00e1rdenas\u2010Granados","sequence":"first","affiliation":[{"name":"Laboratorio de Qu\u00edmica Medicinal y Te\u00f3rica FES Cuautitl\u00e1n Universidad Nacional Aut\u00f3noma de M\u00e9xico (UNAM)  Campo 1 Av. 1 de Mayo SN Cuautitl\u00e1n Izcalli Mexico City 54740 Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0009-0702-1502","authenticated-orcid":false,"given":"Manuel Alejandro","family":"Hern\u00e1ndez\u2010Serda","sequence":"additional","affiliation":[{"name":"Departamento de Ciencias Qu\u00edmicas FES Cuautitl\u00e1n Universidad Nacional Aut\u00f3noma de M\u00e9xico (UNAM)  Av. 1 de Mayo SN Cuautitl\u00e1n Izcalli Mexico City 54740 Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Omar Joel","family":"Villegas\u2010Sol\u00eds","sequence":"additional","affiliation":[{"name":"Laboratorio de Qu\u00edmica Medicinal y Te\u00f3rica FES Cuautitl\u00e1n Universidad Nacional Aut\u00f3noma de M\u00e9xico (UNAM)  Campo 1 Av. 1 de Mayo SN Cuautitl\u00e1n Izcalli Mexico City 54740 Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5014-0023","authenticated-orcid":false,"given":"V\u00edctor Hugo","family":"V\u00e1zquez\u2010Valadez","sequence":"additional","affiliation":[{"name":"Departamento de Ciencias Biol\u00f3gicas FES Cuautitl\u00e1n Universidad Nacional Aut\u00f3noma de M\u00e9xico (UNAM)  Av. 1 de Mayo SN Cuautitl\u00e1n Izcalli Mexico City 54740 Mexico"},{"name":"QSAR Analytics S.A. de C.V. T\u00e9mpano 10  Colonia Atlanta Cuautitl\u00e1n Izcalli Estado de M\u00e9xico CP 54740 Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-1700-8582","authenticated-orcid":false,"given":"Aldo Yoshio","family":"Alarc\u00f3n\u2010L\u00f3pez","sequence":"additional","affiliation":[{"name":"Departamento de Ciencias Qu\u00edmicas FES Cuautitl\u00e1n Universidad Nacional Aut\u00f3noma de M\u00e9xico (UNAM)  Av. 1 de Mayo SN Cuautitl\u00e1n Izcalli Mexico City 54740 Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4635-8425","authenticated-orcid":false,"given":"Pablo A.","family":"Mart\u00ednez\u2010Soriano","sequence":"additional","affiliation":[{"name":"Departamento de Ciencias Qu\u00edmicas FES Cuautitl\u00e1n Universidad Nacional Aut\u00f3noma de M\u00e9xico (UNAM)  Av. 1 de Mayo SN Cuautitl\u00e1n Izcalli Mexico City 54740 Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jaqueline","family":"Ramos\u2010S\u00e1nchez","sequence":"additional","affiliation":[{"name":"Laboratorio de Biolog\u00eda Molecular e Inmunolog\u00eda de arbovirus Unidad de Biomedicina Facultad de Estudios Superiores Iztacala Universidad Nacional Aut\u00f3noma de M\u00e9xico  Tlalnepantla 54090 M\u00e9xico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tannya Karen","family":"Castro\u2010Jim\u00e9nez","sequence":"additional","affiliation":[{"name":"Laboratorio de Biolog\u00eda Molecular e Inmunolog\u00eda de arbovirus Unidad de Biomedicina Facultad de Estudios Superiores Iztacala Universidad Nacional Aut\u00f3noma de M\u00e9xico  Tlalnepantla 54090 M\u00e9xico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7368-6432","authenticated-orcid":false,"given":"Jos\u00e9","family":"Bustos\u2010Arriaga","sequence":"additional","affiliation":[{"name":"Laboratorio de Biolog\u00eda Molecular e Inmunolog\u00eda de arbovirus Unidad de Biomedicina Facultad de Estudios Superiores Iztacala Universidad Nacional Aut\u00f3noma de M\u00e9xico  Tlalnepantla 54090 M\u00e9xico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0068-322X","authenticated-orcid":false,"given":"Enrique","family":"Angeles","sequence":"additional","affiliation":[{"name":"Departamento de Ciencias Qu\u00edmicas FES Cuautitl\u00e1n Universidad Nacional Aut\u00f3noma de M\u00e9xico (UNAM)  Av. 1 de Mayo SN Cuautitl\u00e1n Izcalli Mexico City 54740 Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2025,7,16]]},"reference":[{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.1590\/s1678-9946202163041"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jconrel.2021.09.020"},{"key":"e_1_2_8_4_1","doi-asserted-by":"crossref","first-page":"e0007999","DOI":"10.1371\/journal.pntd.0007999","volume":"14","author":"Hotez P. J.","year":"2020","journal-title":"PLoS Neglected Trop. Dis."},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jneuroim.2017.03.001"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.01148-08"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.3390\/life11070615"},{"key":"e_1_2_8_8_1","doi-asserted-by":"publisher","DOI":"10.1093\/femsle\/fnw202"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.1128\/9781555814533"},{"key":"e_1_2_8_10_1","doi-asserted-by":"publisher","DOI":"10.1186\/1743-422X-5-27"},{"key":"e_1_2_8_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.antiviral.2008.05.004"},{"key":"e_1_2_8_12_1","doi-asserted-by":"publisher","DOI":"10.3390\/v9110338"},{"key":"e_1_2_8_13_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41541-023-00765-0"},{"key":"e_1_2_8_14_1","doi-asserted-by":"publisher","DOI":"10.3390\/v12040367"},{"key":"e_1_2_8_15_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0832193100"},{"key":"e_1_2_8_16_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbapap.2011.09.012"},{"key":"e_1_2_8_17_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.antiviral.2009.09.007"},{"key":"e_1_2_8_18_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cell.2005.09.007"},{"key":"e_1_2_8_19_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbrc.2019.05.148"},{"key":"e_1_2_8_20_1","doi-asserted-by":"publisher","DOI":"10.1021\/cb800176t"},{"key":"e_1_2_8_21_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.virol.2017.12.020"},{"key":"e_1_2_8_22_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiomed.2020.104063"},{"key":"e_1_2_8_23_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41594-020-00536-8"},{"key":"e_1_2_8_24_1","doi-asserted-by":"publisher","DOI":"10.1007\/s13337-016-0307-y"},{"key":"e_1_2_8_25_1","doi-asserted-by":"publisher","DOI":"10.1111\/trf.13993"},{"key":"e_1_2_8_26_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.9b00775"},{"key":"e_1_2_8_27_1","doi-asserted-by":"publisher","DOI":"10.1080\/13543776.2020.1811854"},{"key":"e_1_2_8_28_1","doi-asserted-by":"publisher","DOI":"10.4172\/2169-0138.1000e131"},{"key":"e_1_2_8_29_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules24203766"},{"key":"e_1_2_8_30_1","doi-asserted-by":"publisher","DOI":"10.1021\/jf072394k"},{"key":"e_1_2_8_31_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules191016458"},{"key":"e_1_2_8_32_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.egyr.2019.09.020"},{"key":"e_1_2_8_33_1","doi-asserted-by":"publisher","DOI":"10.1111\/cbdd.12905"},{"key":"e_1_2_8_34_1","doi-asserted-by":"publisher","DOI":"10.3892\/etm.2015.2346"},{"key":"e_1_2_8_35_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules171214637"},{"key":"e_1_2_8_36_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2836(05)80360-2"},{"key":"e_1_2_8_37_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.235"},{"key":"e_1_2_8_38_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gks1195"},{"key":"e_1_2_8_39_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkg563"},{"key":"e_1_2_8_40_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkac1052"},{"key":"e_1_2_8_41_1","doi-asserted-by":"publisher","DOI":"10.1002\/elps.200900140"},{"key":"e_1_2_8_42_1","unstructured":"Chemical Computing Group U. L. C.2024."},{"key":"e_1_2_8_43_1","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"e_1_2_8_44_1","doi-asserted-by":"publisher","DOI":"10.1002\/pro.4792"},{"key":"e_1_2_8_45_1","unstructured":"\u201cBiorender.com \u201d2024."},{"key":"e_1_2_8_46_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-022-00637-0"},{"key":"e_1_2_8_47_1","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btr168"},{"key":"e_1_2_8_48_1","doi-asserted-by":"publisher","DOI":"10.1063\/5.0014475"},{"key":"e_1_2_8_49_1","unstructured":"Areas with Risk of Dengue | Dengue | CDC https:\/\/www.cdc.gov\/dengue\/areas\u2010with\u2010risk\/index.html(accessed: May 1 2025)."},{"key":"e_1_2_8_50_1","unstructured":"OPS \u201cPLISA Plataforma de Informaci\u00f3n en Salud para las Am\u00e9ricas https:\/\/www3.paho.org\/data\/index.php\/es\/temas\/indicadores\u2010dengue.html (accessed: May 1 2025)."}],"container-title":["ChemistryOpen"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/open.202500107","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,11,10]],"date-time":"2025-11-10T12:41:21Z","timestamp":1762778481000},"score":1,"resource":{"primary":{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/open.202500107"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,7,16]]},"references-count":49,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2025,11]]}},"alternative-id":["10.1002\/open.202500107"],"URL":"https:\/\/doi.org\/10.1002\/open.202500107","archive":["Portico"],"relation":{},"ISSN":["2191-1363","2191-1363"],"issn-type":[{"value":"2191-1363","type":"print"},{"value":"2191-1363","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,7,16]]},"assertion":[{"value":"2025-02-13","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2025-07-16","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"e202500107"}}