First Insights into the Biological Activity and Molecular Docking of Citral (3,7-Dimethyl-2,6-Octadienal) Against Trichomonas vaginalis.

Ibáñez Escribano, AlexandraMello, A.B.Fenalti, J.M.Baccega, BWahast Islabão, Y.Martins, F. O.Birmann, P. T.Casaril, A. M.Barbosa, T. N.Sena-Lopes, A.Monteiro, F. L.Savegnago, L.Borsuk, S.Hubner, S. d. O.Farias, N. d. A. d. RIbáñez-Escribano, AlexandraOliveira, C. B.2025-07-072025-07-072025Mello, A.B.d.; Fenalti, J.M.; Baccega, B.; Wahast Islabão, Y.; Martins, F.O.; Birmann, P.T.; Casaril, A.M.; Barbosa, T.N.; Sena-Lopes, A.; Monteiro, F.L.; et al. First Insights into the Biological Activity and Molecular Docking of Citral (3,7-Dimethyl-2, 6-Octadienal) Against Trichomonas vaginalis. Microbiol. Res. 2025, 16, 96. https://doi.org/10.3390/ microbiolres1605009610.3390/microbiolres16050096https://hdl.handle.net/20.500.14352/122254The increasing resistance of Trichomonas vaginalis to the only approved chemical family of drugs for treatment, the 5-nitroimidazoles, has prompted the exploration of new therapeutic agents against this prevalent non-viral sexually transmitted infection. Natural products have emerged as a significant source of novel treatments for trichomoniasis. The aim of this study was to evaluate the anti-T. vaginalis activity of citral (3,7-dimethyl-2,6-octadienal), the main constituent of the essential oil of Cymbopogon species, commonly known as lemongrass. Our findings indicate that citral exhibits a minimum inhibitory concentration (MIC) of 100 μM, effectively inhibiting the growth of T. vaginalis trophozoites within 12 h of exposure, and a 50% inhibitory concentration (IC50) of approximately 40 μM after 24 h. Furthermore, the evaluation of nitric oxide (NO) levels suggests that citral possesses antioxidant properties. Molecular docking studies reveal a weak interaction with three parasite proteins: thioredoxin reductase (TvTrxR), purine nucleoside phosphorylase (TvPNP), and methionine gamma lyase (TvMGL). The present study highlights the potential of citral as a candidate for the development of no-nitroimidazole drugs, offering new avenues for trichomoniasis treatment and underscoring the importance of further investigation into citral’s mechanism of action.engAttribution 4.0 Internationalhttp://creativecommons.org/licenses/by/4.0/First Insights into the Biological Activity and Molecular Docking of Citral (3,7-Dimethyl-2,6-Octadienal) Against Trichomonas vaginalis.journal articlehttps://doi.org/10.3390/microbiolres16050096https://www.mdpi.com/2036-7481/16/5/96open access579.66615.28615.9natural productssexually transmitted infectiontrichomoniasisnitric oxidelemongrassMicrobiología (Farmacia)Toxicología (Farmacia)Medicamentos3207.12 Parasitología