{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,16]],"date-time":"2026-05-16T03:19:31Z","timestamp":1778901571698,"version":"3.51.4"},"reference-count":100,"publisher":"MDPI AG","issue":"10","license":[{"start":{"date-parts":[[2025,10,9]],"date-time":"2025-10-09T00:00:00Z","timestamp":1759968000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico\u2014CNPq\/Brazil","doi-asserted-by":"publisher","award":["303196\/2022-0"],"award-info":[{"award-number":["303196\/2022-0"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Secretaria de Estado de Ci\u00eancia, Tecnologia e Educa\u00e7\u00e3o Profissional e Tecnol\u00f3gica do Par\u00e1","award":["303196\/2022-0"],"award-info":[{"award-number":["303196\/2022-0"]}]},{"name":"Funda\u00e7\u00e3o Amaz\u00f4nia de Amparo a Estudos e Pesquisas [FAPESPA]","award":["303196\/2022-0"],"award-info":[{"award-number":["303196\/2022-0"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Pharmaceuticals"],"abstract":"<jats:p>Background\/Objectives: Neurological and psychiatric disorders share overlapping mechanisms, such as oxidative stress, neuroinflammation, and neurotransmitter imbalance. In this context, multitarget natural molecules have gained attention. 1-nitro-2-phenylethane (1N2PE), a major constituent of Aniba canelilla essential oil, is known for its antioxidant, anti-inflammatory, and anticholinesterase effects, yet its neuropharmacological profile remains poorly understood. Methods: This study integrated in silico predictions and in vivo behavioral assays to characterize 1N2PE. Results: Pharmacokinetic analyses indicated favorable drug-like properties, with high gastrointestinal absorption, blood\u2013brain barrier penetration, and no P-gp substrate profile. Molecular docking and dynamics revealed stable interactions with dopamine transporter (DAT, \u0394G = \u221226.26 kcal\/mol), prostaglandin-H synthase-1 (PGHS-1, \u0394G = \u221220.27 kcal\/mol), serotonin transporter (SERT, \u0394G = \u221218.20 kcal\/mol), and acetylcholinesterase (AChE, \u0394G = \u221216.58 kcal\/mol). In vivo, using a scopolamine-induced impairment model, 1N2PE significantly improved spatial memory and cognition in the Morris water maze. Treated animals reduced the distance to the target zone by ~40% compared with scopolamine-only rats (p &lt; 0.01), normalized latency during training, and exhibited 30% less immobility (p &lt; 0.05), indicating antidepressant-like effects. Moreover, 1N2PE attenuated anxiety-like thigmotaxis, restoring exploratory patterns (p &lt; 0.0001). Conclusions: Together, these findings highlight 1N2PE as a multitarget candidate for cognitive and psychiatric disorders, combining favorable pharmacokinetic properties with preclinical efficacy, warranting further biochemical and translational investigations.<\/jats:p>","DOI":"10.3390\/ph18101511","type":"journal-article","created":{"date-parts":[[2025,10,9]],"date-time":"2025-10-09T07:56:29Z","timestamp":1759996589000},"page":"1511","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["1-Nitro-2-Phenylethane as a Multitarget Candidate for Cognitive and Psychiatric Disorders: Insights from In Silico and Behavioral Approaches"],"prefix":"10.3390","volume":"18","author":[{"given":"Emily Christie Maia","family":"Fonseca","sequence":"first","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Farmacologia e Bioqu\u00edmica, Universidade Federal do Par\u00e1, Bel\u00e9m 66075-900, PA, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lucas Villar Pedrosa da Silva","family":"Pantoja","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Farmacologia e Bioqu\u00edmica, Universidade Federal do Par\u00e1, Bel\u00e9m 66075-900, PA, Brazil"},{"name":"Laborat\u00f3rio de Farmacologia da Inflama\u00e7\u00e3o e do Comportamento, Universidade Federal do Par\u00e1, Bel\u00e9m 66075-900, PA, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Daniele Luz","family":"de Campos","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Ci\u00eancias Farmac\u00eauticas, Instituto de Ci\u00eancias da Sa\u00fade, Universidade Federal do Par\u00e1, Bel\u00e9m 66075-900, PA, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3300-8327","authenticated-orcid":false,"given":"F\u00e1bio Jos\u00e9 Coelho","family":"Souza-Junior","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Farmacologia e Bioqu\u00edmica, Universidade Federal do Par\u00e1, Bel\u00e9m 66075-900, PA, Brazil"},{"name":"Laborat\u00f3rio de Farmacologia da Inflama\u00e7\u00e3o e do Comportamento, Universidade Federal do Par\u00e1, Bel\u00e9m 66075-900, PA, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1409-4864","authenticated-orcid":false,"given":"Bruno Gon\u00e7alves","family":"Pinheiro","sequence":"additional","affiliation":[{"name":"Laborat\u00f3rio de Farmacologia da Inflama\u00e7\u00e3o e do Comportamento, Universidade Federal do Par\u00e1, Bel\u00e9m 66075-900, PA, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Brenda Costa","family":"da Concei\u00e7\u00e3o","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Farmacologia e Bioqu\u00edmica, 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