{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,2]],"date-time":"2026-07-02T19:40:08Z","timestamp":1783021208861,"version":"3.54.6"},"reference-count":29,"publisher":"Instituto Nacional de Salud (Colombia)","issue":"Sp. 1","license":[{"start":{"date-parts":[[2026,4,28]],"date-time":"2026-04-28T00:00:00Z","timestamp":1777334400000},"content-version":"unspecified","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"}],"content-domain":{"domain":["revistabiomedica.org"],"crossmark-restriction":false},"short-container-title":["Biomed."],"abstract":"<jats:p>Introducci\u00f3n. La candidiasis vulvovaginal es una infecci\u00f3n f\u00fangica frecuente causada principalmente por Candida albicans. La formaci\u00f3n de biopel\u00edculas constituye un factor clave en la persistencia de la infecci\u00f3n y en la disminuci\u00f3n de la eficacia de los tratamientos antif\u00fangicos convencionales.Objetivo. Evaluar la actividad anti-biopel\u00edcula del linalol frente a cepas de C. albicans aisladas de secreciones vulvovaginales e investigar sus posibles interacciones moleculares con la enzima 1,3-\u03b2-glucano sintasa, esencial para la bios\u00edntesis de la pared celular f\u00fangica. Materiales y m\u00e9todos. La actividad anti-biopel\u00edcula del linalol se evalu\u00f3 mediante pruebas in vitro con cristal violeta frente a una cepa cl\u00ednica (C. albicans LM 129) y una cepa de referencia (C. albicans ATCC 76485). La nistatina se utiliz\u00f3 como antif\u00fangico comparador. Adem\u00e1s, se realizaron estudios de acoplamiento molecular utilizando AutoDock 4.2, seguidos de simulaciones de din\u00e1mica molecular en GROMACS 2022.3 para analizar la estabilidad del complejo ligando-enzima. Resultados. El linalol redujo significativamente la formaci\u00f3n de biopel\u00edculas en ambas cepas de C. albicans, con una inhibici\u00f3n promedio del 74,65 %, mientras que la nistatina mostr\u00f3 una actividad limitada. Los estudios de acoplamiento indicaron que el linalol interact\u00faa con el sitio activo de la 1,3-\u03b2-glucano sintasa, presentando una energ\u00eda libre de uni\u00f3n (\u0394G) de -6,0 kcal\/mol, comparable a la del ligando de control castanospermine (-7,0 kcal\/mol). Las simulaciones de din\u00e1mica molecular confirmaron la estabilidad estructural del complejo durante 30 ns.Conclusiones. El linalol presenta una actividad anti-biopel\u00edcula relevante frente a C. albicans y establece interacciones estables con la enzima 1,3-\u03b2-glucano sintasa, lo que sugiere un posible mecanismo inhibitorio. Estos resultados respaldan su potencial como compuesto natural para el desarrollo de estrategias terap\u00e9uticas alternativas contra la candidiasis vulvovaginal.<\/jats:p>","DOI":"10.7705\/biomedica.7709","type":"journal-article","created":{"date-parts":[[2026,7,2]],"date-time":"2026-07-02T14:54:25Z","timestamp":1783004065000},"page":"74-87","update-policy":"https:\/\/doi.org\/10.7705\/crossmark","source":"Crossref","is-referenced-by-count":0,"title":["Docking prediction, molecular dynamics and antibiofilm effect of linalool against Candida albicans strains from vulvovaginal secretions","Predicci\u00f3n de acoplamiento molecular, din\u00e1mica molecular y efecto anti-biopel\u00edcula del linalool contra cepas de Candida albicans aisladas de secreciones vulvovaginales"],"prefix":"10.7705","volume":"46","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-6413-8303","authenticated-orcid":false,"given":"C\u00e1ssio Ilan","family":"Medeiros","sequence":"first","affiliation":[{"name":"Departamento de Ci\u00eancias Farmac\u00eauticas, Universidade Federal da Para\u00edba, Jo\u00e3o Pessoa, PB, Brasil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7648-6794","authenticated-orcid":false,"given":"Rawny","family":"Galdino Gouveia","sequence":"additional","affiliation":[{"name":"Departamento de Ci\u00eancias Farmac\u00eauticas, Universidade Federal da Para\u00edba, Jo\u00e3o Pessoa, PB, Brasil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8188-106X","authenticated-orcid":false,"given":"Victor","family":"Targino Gomes","sequence":"additional","affiliation":[{"name":"Departamento de Biotecnologia, Universidade Federal da Para\u00edba, Jo\u00e3o Pessoa, PB, Brasil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4372-088X","authenticated-orcid":false,"given":"Gislaine","family":"Silva","sequence":"additional","affiliation":[{"name":"Departamento de Microbiologia, Universidade Estadual de Londrina, Londrina, PR, Brasil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8289-2230","authenticated-orcid":false,"given":"Ulrich","family":"Vasconcelos Gomes","sequence":"additional","affiliation":[{"name":"Departamento de Biotecnologia, Universidade Federal da Para\u00edba, Jo\u00e3o Pessoa, PB, Brasil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7466-9933","authenticated-orcid":false,"given":"Abrah\u00e3o","family":"Alves Filho","sequence":"additional","affiliation":[{"name":"Unidade Acad\u00eamica de Ci\u00eancias Biol\u00f3gicas, Universidade Federal de Campina Grande, Polo: Patos, PB, Brasil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9547-0886","authenticated-orcid":false,"given":"Edeltrudes","family":"De Oliveira Lima","sequence":"additional","affiliation":[{"name":"Departamento de Ci\u00eancias Farmac\u00eauticas, Universidade Federal da Para\u00edba, Jo\u00e3o Pessoa, PB, Brasil"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"4444","published-online":{"date-parts":[[2026,4,28]]},"reference":[{"key":"162030","doi-asserted-by":"crossref","unstructured":"Sobel JD. 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