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Here, we investigated the synergistic effects of essential oil mixtures derived from Hypenia irregularis that is a mint-family shrub native to Brazil\u2019s Cerrado biome, known as \u201calecrim do Cerrado\u201d, in combination with essential oils from noni (Morinda citrifolia), Brazilian mint (\u201csalva-do-Maraj\u00f3\u201d, Hyptis crenata), and lemongrass (Cymbopogon citratus) against Ae. aegypti. We conducted phytochemical analyses and assessed larvicidal, repellent, and oviposition deterrent activities. Using in silico methods, we predicted molecular interactions between key essential oil components and physiological targets involved in repellent action (odorant-binding protein AeagOBP1 and olfactory receptor Or31) and larvicidal activity (GABA and octopamine receptors, TRP channels, and acetylcholinesterase [AChE]). Major compounds identified included octanoic acid (23%; Hipe. irregularis \u00d7 M. citrifolia), 2,5-dimethoxy-p-cymene (21.9%; Hipe. irregularis \u00d7 Hypt. crenata), and citral (23.0%; Hipe. irregularis \u00d7 C. citratus). Although individual oils showed strong larvicidal activity (Hipe. irregularis LC50 = 2.35 \u00b5L\/mL; Hypt. crenata = 2.37 \u00b5L\/mL; M. citrifolia and C. citratus = 2.71 \u00b5L\/mL), their mixtures did not display synergistic effects. Similarly, repellency and oviposition deterrence were comparable to DEET for individual oils but were not enhanced in mixtures. Notably, the Hipe. irregularis \u00d7 C. citratus essential oil blend reduced oviposition deterrence. Molecular docking confirmed strong binding of major oil components to AeagOBP1 and Or31, supporting their role in repellency. For larvicidal effects, AChE showed the highest predicted binding affinity. Overall, our findings suggest that H. irregularis, Hypt. crenata, C. citratus, and M. citrifolia (alone or in 1:1 mixture) are promising, sustainable agents for A. aegypti control.<\/jats:p>","DOI":"10.3390\/toxins17080402","type":"journal-article","created":{"date-parts":[[2025,8,11]],"date-time":"2025-08-11T11:02:09Z","timestamp":1754910129000},"page":"402","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Phytochemistry, Mode of Action Predictions, and Synergistic Potential of Hypenia irregularis Essential Oil Mixtures for Controlling Aedes aegypti"],"prefix":"10.3390","volume":"17","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0164-505X","authenticated-orcid":false,"given":"Luis O.","family":"Viteri Jumbo","sequence":"first","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Biotecnologia, Universidade Federal do Tocantins (UFT), Gurupi 77402-970, TO, Brazil"},{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Produ\u00e7\u00e3o Vegetal, Universidade Federal de Tocantins (UFT), Gurupi 77402-970, TO, Brazil"},{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Biologia Animal, Universidade Federal de Vi\u00e7osa, Vi\u00e7osa 36570-900, MG, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wellington S.","family":"Moura","sequence":"additional","affiliation":[{"name":"Coordena\u00e7\u00e3o de Tecnologia em Seguran\u00e7a P\u00fablica, Universidade Estadual do Tocantins, Palmas 77020-122, TO, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Richard D.","family":"Possel","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Biotecnologia, Universidade Federal do Tocantins (UFT), Gurupi 77402-970, TO, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Osmany M.","family":"Herrera","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Produ\u00e7\u00e3o Vegetal, Universidade Federal de Tocantins (UFT), Gurupi 77402-970, TO, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rodrigo R.","family":"Fidelis","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Produ\u00e7\u00e3o Vegetal, Universidade Federal de Tocantins (UFT), Gurupi 77402-970, TO, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8031-9454","authenticated-orcid":false,"given":"Bruno S.","family":"Andrade","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Biotecnologia, Universidade Federal do Tocantins (UFT), Gurupi 77402-970, TO, Brazil"},{"name":"Departmento de Ciencias Biol\u00f3gicas, Universidade Estadual do Sudoeste da Bahia, Jequi\u00e9 45208-091, BA, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8334-3313","authenticated-orcid":false,"given":"Guy","family":"Smagghe","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Biotecnologia, Universidade Federal do Tocantins (UFT), Gurupi 77402-970, TO, Brazil"},{"name":"Institute of Entomology, Guizhou University, Guiyang 550025, China"},{"name":"Department of Biology, Vrije Universiteit Brussel (VUB), 1050 Brussels, Belgium"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3830-9463","authenticated-orcid":false,"given":"Gil R.","family":"Santos","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Biotecnologia, Universidade Federal do Tocantins (UFT), Gurupi 77402-970, TO, Brazil"},{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Produ\u00e7\u00e3o Vegetal, Universidade Federal de Tocantins (UFT), Gurupi 77402-970, TO, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1174-6564","authenticated-orcid":false,"given":"Eug\u00eanio E.","family":"Oliveira","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Biotecnologia, Universidade Federal do Tocantins (UFT), Gurupi 77402-970, TO, Brazil"},{"name":"Departamento de Entomologia, Universidade Federal de Vi\u00e7osa, Vi\u00e7osa 36570-900, MG, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Raimundo W. 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