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dc.contributor.authorDiaz de Cerio, Elixabet
dc.contributor.authorVerardo, Vito
dc.identifier.citationDíaz-de-Cerio, E.; Girón, F.; Pérez-Garrido, A.; Pereira, A.S.P.; Gabaldón-Hernández, J.A.; Verardo, V.; Segura Carretero, A.; Pérez-Sánchez, H. Fishing the Targets of Bioactive Compounds from Psidium guajava L. Leaves in the Context of Diabetes. Int. J. Mol. Sci. 2023, 24, 5761. []es_ES
dc.description.abstractPsidium guajava L. (guava) leaves have demonstrated their in vitro and in vivo effect against diabetes mellitus (DM). However, there is a lack of literature concerning the effect of the individual phenolic compounds present in the leaves in DM disease. The aim of the present work was to identify the individual compounds in Spanish guava leaves and their potential contribution to the observed anti-diabetic effect. Seventy-three phenolic compounds were identified from an 80% ethanol extract of guava leaves by high performance liquid chromatography coupled to electrospray ionization and quadrupole time-of-flight mass spectrometry. The potential anti-diabetic activity of each compound was evaluated with the DIA-DB web server that uses a docking and molecular shape similarity approach. The DIA-DB web server revealed that aldose reductase was the target protein with heterogeneous affinity for compounds naringenin, avicularin, guaijaverin, quercetin, ellagic acid, morin, catechin and guavinoside C. Naringenin exhibited the highest number of interactions with target proteins dipeptidyl peptidase-4, hydroxysteroid 11-beta dehydrogenase 1, aldose reductase and peroxisome proliferator-activated receptor. Compounds catechin, quercetin and naringenin displayed similarities with the known antidiabetic drug tolrestat. In conclusion, the computational workflow showed that guava leaves contain several compounds acting in the DM mechanism by interacting with specific DM protein targets.es_ES
dc.description.sponsorshipSpanish Government CTQ2017-87974-Res_ES
dc.description.sponsorshipSupercomputing infrastructure of Poznan Supercomputing Centeres_ES
dc.description.sponsorshipEuropean Commissiones_ES
dc.description.sponsorshipSpanish Ministry of Economy and Competitiveness - MCIN/AEI RTI2018-099835-A-I00es_ES
dc.description.sponsorshipSupercomputing infrastructure of the NLHPCes_ES
dc.description.sponsorshipSupercomputer center of UiT-the Arctic University of Norway ECM-02es_ES
dc.rightsAtribución 4.0 Internacional*
dc.subjectDiabetes mellituses_ES
dc.subjectIn silicoes_ES
dc.subjectPhenolic compoundses_ES
dc.subjectPsidium guajava L.es_ES
dc.titleFishing the Targets of Bioactive Compounds from Psidium guajava L. Leaves in the Context of Diabeteses_ES

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Atribución 4.0 Internacional
Except where otherwise noted, this item's license is described as Atribución 4.0 Internacional