Essential Oil of <i>Lippia origanoides</i> Kunth: Nanoformulation, Anticholinesterase Activity, and Molecular Docking
This study investigates the therapeutic potential of <i>Lippia origanoides</i> essential oil (LOEO) in neurological and pharmaceutical applications. The chemical composition of LOEO was analyzed using gas chromatography–mass spectrometry (GC-MS), revealing major constituents, such as car...
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MDPI AG
2025-03-01
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| author | Antônio Quaresma da Silva Júnior Gabriela dos Santos Rodrigues Adenilson de Sousa Barroso Pablo Luis Baia Figueiredo Francisco Paiva Machado Mikaela Amaral Ferreira Caio Pinho Fernandes Gabriela B. dos Santos Rosa Helena V. Mourão |
| author_facet | Antônio Quaresma da Silva Júnior Gabriela dos Santos Rodrigues Adenilson de Sousa Barroso Pablo Luis Baia Figueiredo Francisco Paiva Machado Mikaela Amaral Ferreira Caio Pinho Fernandes Gabriela B. dos Santos Rosa Helena V. Mourão |
| author_sort | Antônio Quaresma da Silva Júnior |
| collection | DOAJ |
| description | This study investigates the therapeutic potential of <i>Lippia origanoides</i> essential oil (LOEO) in neurological and pharmaceutical applications. The chemical composition of LOEO was analyzed using gas chromatography–mass spectrometry (GC-MS), revealing major constituents, such as carvacrol, thymol, and γ-gurjunene, known for their antioxidant and antimicrobial properties. LOEO demonstrated significant acetylcholinesterase (AChE)-inhibitory activity, particularly in a nanoformulation that enhances bioavailability and stability. Additionally, the major constituent carvacrol, when tested in isolation, also exhibited AChE-inhibitory activity comparable to that of the nanoformulation. Molecular docking analysis indicated strong binding affinities between LOEO compounds and AChE, supporting its therapeutic potential for neurodegenerative diseases like Alzheimer’s. Additionally, in silico pharmacokinetic predictions revealed favorable absorption and blood–brain barrier penetration profiles for key constituents. Despite promising results, this study acknowledges the need for in vivo validation and long-term stability assessments of the nanoformulation. Future research should focus on pharmacodynamic studies and evaluating the oil’s effectiveness in animal models. These findings highlight LOEO as a valuable candidate for developing natural therapies for neurodegenerative diseases. |
| format | Article |
| id | doaj-art-dbbc15d8ee7d4109a09d496bdfac4919 |
| institution | DOAJ |
| issn | 1420-3049 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj-art-dbbc15d8ee7d4109a09d496bdfac49192025-08-20T03:03:24ZengMDPI AGMolecules1420-30492025-03-01307155410.3390/molecules30071554Essential Oil of <i>Lippia origanoides</i> Kunth: Nanoformulation, Anticholinesterase Activity, and Molecular DockingAntônio Quaresma da Silva Júnior0Gabriela dos Santos Rodrigues1Adenilson de Sousa Barroso2Pablo Luis Baia Figueiredo3Francisco Paiva Machado4Mikaela Amaral Ferreira5Caio Pinho Fernandes6Gabriela B. dos Santos7Rosa Helena V. Mourão8Programa de Pós-Graduação em Biodiversidade e Biotecnologia da Rede Bionorte, Universidade Federal do Oeste do Pará, Santarém 68040-255, PA, BrazilLaboratório de Bioprospecção e Biologia Experimental, Universidade Federal do Oeste do Pará, Santarém 68040-255, PA, BrazilLaboratório de Bioprospecção e Biologia Experimental, Universidade Federal do Oeste do Pará, Santarém 68040-255, PA, BrazilPrograma de Pós-Graduação em Biodiversidade e Biotecnologia da Rede Bionorte, Universidade Federal do Oeste do Pará, Santarém 68040-255, PA, BrazilLaboratório de Tecnologia de Produtos Naturais—LTPN, Departamento de Tecnologia Farmacêutica, Faculdade de Farmácia, Universidade Federal Fluminense, Niterói 24241-000, RJ, BrazilLaboratório de Tecnologia de Produtos Naturais—LTPN, Departamento de Tecnologia Farmacêutica, Faculdade de Farmácia, Universidade Federal Fluminense, Niterói 24241-000, RJ, BrazilLaboratory of Phytopharmaceutical Nanobiotechnology, Department of Biological and Health Sciences, Federal University of Amapá, Macapá 68902-280, AP, BrazilPrograma de Pós-Graduação em Ciências da Saúde, Universidade Federal do Oeste do Pará, Santarém 68035-110, PA, BrazilPrograma de Pós-Graduação em Biodiversidade e Biotecnologia da Rede Bionorte, Universidade Federal do Oeste do Pará, Santarém 68040-255, PA, BrazilThis study investigates the therapeutic potential of <i>Lippia origanoides</i> essential oil (LOEO) in neurological and pharmaceutical applications. The chemical composition of LOEO was analyzed using gas chromatography–mass spectrometry (GC-MS), revealing major constituents, such as carvacrol, thymol, and γ-gurjunene, known for their antioxidant and antimicrobial properties. LOEO demonstrated significant acetylcholinesterase (AChE)-inhibitory activity, particularly in a nanoformulation that enhances bioavailability and stability. Additionally, the major constituent carvacrol, when tested in isolation, also exhibited AChE-inhibitory activity comparable to that of the nanoformulation. Molecular docking analysis indicated strong binding affinities between LOEO compounds and AChE, supporting its therapeutic potential for neurodegenerative diseases like Alzheimer’s. Additionally, in silico pharmacokinetic predictions revealed favorable absorption and blood–brain barrier penetration profiles for key constituents. Despite promising results, this study acknowledges the need for in vivo validation and long-term stability assessments of the nanoformulation. Future research should focus on pharmacodynamic studies and evaluating the oil’s effectiveness in animal models. These findings highlight LOEO as a valuable candidate for developing natural therapies for neurodegenerative diseases.https://www.mdpi.com/1420-3049/30/7/1554carvacrolacetylcholinesterase nanoemulsion |
| spellingShingle | Antônio Quaresma da Silva Júnior Gabriela dos Santos Rodrigues Adenilson de Sousa Barroso Pablo Luis Baia Figueiredo Francisco Paiva Machado Mikaela Amaral Ferreira Caio Pinho Fernandes Gabriela B. dos Santos Rosa Helena V. Mourão Essential Oil of <i>Lippia origanoides</i> Kunth: Nanoformulation, Anticholinesterase Activity, and Molecular Docking Molecules carvacrol acetylcholinesterase nanoemulsion |
| title | Essential Oil of <i>Lippia origanoides</i> Kunth: Nanoformulation, Anticholinesterase Activity, and Molecular Docking |
| title_full | Essential Oil of <i>Lippia origanoides</i> Kunth: Nanoformulation, Anticholinesterase Activity, and Molecular Docking |
| title_fullStr | Essential Oil of <i>Lippia origanoides</i> Kunth: Nanoformulation, Anticholinesterase Activity, and Molecular Docking |
| title_full_unstemmed | Essential Oil of <i>Lippia origanoides</i> Kunth: Nanoformulation, Anticholinesterase Activity, and Molecular Docking |
| title_short | Essential Oil of <i>Lippia origanoides</i> Kunth: Nanoformulation, Anticholinesterase Activity, and Molecular Docking |
| title_sort | essential oil of i lippia origanoides i kunth nanoformulation anticholinesterase activity and molecular docking |
| topic | carvacrol acetylcholinesterase nanoemulsion |
| url | https://www.mdpi.com/1420-3049/30/7/1554 |
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