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Bioactivities of centaurium erythraea (Gentianaceae) decoctions: antioxidant activity, enzyme inhibition and docking studies

2019-10-22Journal article Open access
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dc.contributor.authorGuedes, Laura
dc.contributor.authorReis, Pedro B. P. S.
dc.contributor.authorMachuqueiro, Miguel
dc.contributor.authorRESSAISSI, Asma
dc.contributor.authorPacheco, Rita
dc.contributor.authorSerralheiro, Maria Luisa
dc.date.accessioned2020-03-24T15:34:54Z
dc.date.available2020-03-24T15:34:54Z
dc.date.issued2019-10-22
dc.description.abstractCentaurium erythraea is recommended for the treatment of gastrointestinal disorders and to reduce hypercholesterolemia in ethno-medicinal practice. To perform a top-down study that could give some insight into the molecular basis of these bioactivities, decoctions from C. erythraea leaves were prepared and the compounds were identified by liquid chromatography-high resolution tandemmassspectrometry(LC–MS/MS).Secoiridoidsglycosides,likegentiopicrosideandsweroside, and several xanthones, such as di-hydroxy-dimethoxyxanthone, were identified. Following some of the bioactivities previously ascribed to C. erythraea, we have studied its antioxidant capacity and the ability to inhibit acetylcholinesterase (AChE) and 3-hydroxy-3-methylglutaryl coenzyme A reductase (HMGR). Significant antioxidant activities were observed, following three assays: free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) reduction; lipoperoxidation; and NO radical scavengingcapacity. TheAChEandHMGRinhibitoryactivitiesforthedecoctionwerealsomeasured (56% at 500 µg/mL and 48% at 10 µg/mL, respectively). Molecular docking studies indicated that xanthones are better AChE inhibitors than gentiopicroside, while this compound exhibits a better shape complementarity with the HMGR active site than xanthones. To the extent of our knowledge, thisisthefirstreportonAChEandHMGRactivitiesbyC.erythraeadecoctions,inatop-downanalysis, complemented with in silico molecular docking, which aims to understand, at the molecular level, some of the biological effects ascribed to infusions from this plant.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationGUEDES, Laura; [et al] – Bioactivities of centaurium erythraea (Gentianaceae) decoctions: antioxidant activity, enzyme inhibition and docking studies. Molecules. ISSN 1420-3049. Vol. 24, N.º 20 (2019), pp. 1-18pt_PT
dc.identifier.doi10.3390/molecules24203795pt_PT
dc.identifier.issn1420-3049
dc.identifier.urihttp://hdl.handle.net/10400.21/11320
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherMDPIpt_PT
dc.relationUID/MULTI/04046/2019 - FCTpt_PT
dc.relationPTDC/BIA-BQM/28355/2017 - FCTpt_PT
dc.relationCEECIND/02300/2017pt_PT
dc.relationMelhoramento da eficiência das simulações de dinâmica molecular a pH constante em sistemas biológicos complexos
dc.subjectCentaurium erythraeapt_PT
dc.subjectAcetylcholinesterasept_PT
dc.subjectHMG-CoA reductasept_PT
dc.subjectGentiopicrosidept_PT
dc.subjectXanthonespt_PT
dc.subjectDocking studiespt_PT
dc.titleBioactivities of centaurium erythraea (Gentianaceae) decoctions: antioxidant activity, enzyme inhibition and docking studiespt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleMelhoramento da eficiência das simulações de dinâmica molecular a pH constante em sistemas biológicos complexos
oaire.awardURIinfo:eu-repo/grantAgreement/FCT//SFRH%2FBD%2F136226%2F2018/PT
oaire.citation.endPage18pt_PT
oaire.citation.issue20pt_PT
oaire.citation.startPage1pt_PT
oaire.citation.titleMoleculespt_PT
oaire.citation.volume24pt_PT
person.familyNameMachuqueiro
person.familyNameRESSAISSI
person.familyNamePacheco
person.familyNameSerralheiro
person.givenNameMiguel
person.givenNameAsma
person.givenNameRita
person.givenNameMaria Luisa
person.identifier1433605
person.identifier1022927
person.identifier.ciencia-idD416-CB5B-AC3D
person.identifier.ciencia-id9F13-D310-B5A3
person.identifier.orcid0000-0001-6923-8744
person.identifier.orcid0000-0002-0073-6785
person.identifier.orcid0000-0001-5192-3006
person.identifier.orcid0000-0001-7541-9613
person.identifier.ridC-8012-2011
person.identifier.ridC-3062-2012
person.identifier.ridE-3407-2012
person.identifier.scopus-author-id57221975472
person.identifier.scopus-author-id8853708300
person.identifier.scopus-author-id6602688573
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccesspt_PT
rcaap.typearticlept_PT
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