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The Antiviral and Virucidal Activities of Voacangine and Structural Analogs Extracted from Tabernaemontana cymosa Depend on the Dengue Virus Strain

dc.contributor.authorMonsalve-Escudero, Laura Milena
dc.contributor.otherLoaiza-Cano, Vanessa
dc.contributor.otherZapata-Cardona, Maria Isabel
dc.contributor.otherQuintero-Gil, Diana Carolina
dc.contributor.otherHernández-Mira, Estiven
dc.contributor.otherPájaro-González, Yina
dc.contributor.otherOliveros-Díaz, Andrés Felipe
dc.contributor.otherDiaz-Castillo, Fredyc
dc.contributor.otherQuiñones, Wistón
dc.contributor.otherRobledo, Sara
dc.contributor.otherMartinez-Gutierrez, Marlen
dc.date.accessioned2022-12-20T19:22:44Z
dc.date.available2022-12-20T19:22:44Z
dc.date.issued2021-06-23
dc.date.submitted2021-05-15
dc.identifier.citationMonsalve-Escudero, L.M.; Loaiza-Cano, V.; Zapata-Cardona, M.I.; Quintero-Gil, D.C.; Hernández-Mira, E.; Pájaro-González, Y.; Oliveros-Díaz, A.F.; Diaz-Castillo, F.; Quiñones, W.; Robledo, S.; et al. The Antiviral and Virucidal Activities of Voacangine and Structural Analogs Extracted from Tabernaemontana cymosa Depend on the Dengue Virus Strain. Plants 2021, 10, 1280. https://doi.org/10.3390/ plants10071280spa
dc.identifier.urihttps://hdl.handle.net/20.500.12834/1160
dc.description.abstractCurrently, no specific licensed antiviral exists for treating the illness caused by dengue virus (DENV). Therefore, the search for compounds of natural origin with antiviral activity is an important area of research. In the present study, three compounds were isolated and identified from seeds of Tabernaemontana cymosa plants. The in vitro antiviral effect of those compounds and voacangine against different DENV strains was assessed using different experimental approaches: compounds added before the infection (Pre), at the same time with the virus (Trans), after the infection (Post) or compounds present in all moments of the experiment (Pre-Trans-Post, Combined treatment). In silico studies (docking and molecular dynamics) were also performed to explain the possible antiviral mechanisms. The identified compounds were three structural analogs of voacangine (voacangine-7-hydroxyindolenine, rupicoline and 3-oxo-voacangine). In the Pre-treatment, only voacangine-7-hydroxyindolenine and rupicoline inhibited the infection caused by the DENV-2/NG strain (16.4% and 29.6% infection, respectively). In the Trans-treatment approach, voacangine, voacangine-7-hydroxyindolenine and rupicoline inhibited the infection in both DENV-2/NG (11.2%, 80.4% and 75.7% infection, respectively) and DENV-2/16681 infection models (73.7%, 74.0% and 75.3% infection, respectively). The latter strain was also inhibited by 3-oxo-voacangine (82.8% infection). Moreover, voacangine (most effective virucidal agent) was also effective against one strain of DENV-1 (DENV-1/WestPac/74) and against the third strain of DENV-2 (DENV-2/S16803) (48.5% and 32.4% infection, respectively). Conversely, no inhibition was observed in the post-treatment approach. The last approach (combined) showed that voacangine, voacangine-7-hydroxyindolenine and rupicoline inhibited over 90% of infections (3.5%, 6.9% and 3.5% infection, respectively) of both strains (DENV-2/NG and DENV-2/16681). The free energy of binding obtained with an in silico approach was favorable for the E protein and compounds, which ranged between −5.1 and −6.3 kcal/mol. Finally, the complex formed between DENV-2 E protein and the best virucidal compound was stable for 50 ns. Our results show that the antiviral effect of indole alkaloids derived from T. cymose depends on the serotype and the virus strain.spa
dc.format.mimetypeapplication/pdfspa
dc.language.isoengspa
dc.rights.urihttp://creativecommons.org/licenses/by-nc/4.0/*
dc.sourcePlantsspa
dc.titleThe Antiviral and Virucidal Activities of Voacangine and Structural Analogs Extracted from Tabernaemontana cymosa Depend on the Dengue Virus Strainspa
dc.title.alternativeThe Antiviral and Virucidal Activities of Voacangine and Structural Analogs Extracted from Tabernaemontana cymosa Depend on the Dengue Virus Strainspa
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datacite.rightshttp://purl.org/coar/access_right/c_abf2spa
oaire.resourcetypehttp://purl.org/coar/resource_type/c_2df8fbb1spa
oaire.versionhttp://purl.org/coar/version/c_970fb48d4fbd8a85spa
dc.audiencePúblico generalspa
dc.identifier.doi10.3390/ plants10071280
dc.identifier.instnameUniversidad del Atlánticospa
dc.identifier.reponameRepositorio Universidad del Atlánticospa
dc.rights.ccAttribution-NonCommercial 4.0 International*
dc.subject.keywordsdengue virus; Tabernaemontana cymosa; indole alkaloids; molecular docking; antiviralsspa
dc.type.driverinfo:eu-repo/semantics/articlespa
dc.type.hasVersioninfo:eu-repo/semantics/publishedVersionspa
dc.type.spaArtículospa
dc.publisher.placeBarranquillaspa
dc.rights.accessRightsinfo:eu-repo/semantics/openAccessspa
dc.publisher.disciplineMaestría en Gestión Farmacéuticaspa
dc.publisher.sedeSede Nortespa


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