Effect of the main constituents of Pistacia lentiscus leaves against the DPPH radical and xanthine oxidase: experimental and theoretical study

Basit Öğe Kaydı
dc.authoridBENGUERBA, Yacine/0000-0002-8251-9724
dc.authoridKelebek, Hasim/0000-0002-8419-3019
dc.authoridsobhi, widad/0000-0002-2143-0662
dc.contributor.authorBoucheffa, Saliha
dc.contributor.authorSobhi, Widad
dc.contributor.authorAttoui, Ayoub
dc.contributor.authorSelli, Serkan
dc.contributor.authorKelebek, Haşim
dc.contributor.authorSemmeq, Abderrahmane
dc.contributor.authorBenguerba, Yacine
dc.date.accessioned2025-01-06T17:37:31Z
dc.date.available2025-01-06T17:37:31Z
dc.date.issued2022
dc.description.abstractThe aim of this work is to study the content of phenolic compounds in P lentiscus leaves and their antioxidant effect. After extracting the phenolic compounds, fractionation by liquid/liquid partition with increasing polarity gives five extracts. Three of them (ButF, AqF and ButA) were found to have good antioxidant activity. Their IC50s for the inhibition of the free radical formation of DPPH are 1.76 mg/mL, 1.307 mg/ml, and 1.77 mg/mL, respectively. These values are very interesting, considering the effect of the powerful flavonoid quercetin, whose IC50 against DPPH is 1.53 mg/mL. These extracts are also active against xanthine oxidase (XO). The IC50s measured are 0.14 mg/mL, 0.186mg/mL and 0.33 mg/mL for ButF, Aq F and ButAq F extract respectively, in comparison with allopurinol (0.44 mg/ mL). A phytochemical analysis by LC/ESI-MS-MS was performed to explain the observed activities. The results show 22 peaks representing: flavanols, namely catechin, d-Gallocatechin, and gallocatechin gallate. The only flavone detected in the studied extracts was luteolin glucuronide and was found to be in higher amounts in butanolic extract (2,71mg/mL). The phenolic acids and derivatives were also identified in the extracts. A theoretical study was performed to deduce the specificity of the binding between the major compounds identified in the P. lentiscus extract and the xanthine oxidase enzyme using Schr_odinger software. The docking procedure was validated using the extraction of ligands from the binding site. Their re-anchoring to the xanthine oxidase structure using quercetin and allopurinol was considered reference molecules. After docking, post-docking minimization was performed to achieve the best scoring poses with the MM-GBSA approach. The dGBind energy of MM-GBSA representing the binding energy of the receptor and the ligand was calculated based on molecular mechanics. Results reveal that b-Glucogallin compounds such as Digalloylquinic acid, Gallocatechin, and Myricetin-3-O rhamnoside are more active than allopurinol, with stronger Docking score (Gscore) and MM-GBSA dGBind.
dc.description.sponsorshipFerhat Abbas Setif-1 University; DGRSDT (La Direction Generale de la Recherche Scientifique et du Developpement Technologique)
dc.description.sponsorshipThe authors would like to express their gratitude and acknowledge the support of Ferhat Abbas Setif-1 University and the DGRSDT (La Direction Generale de la Recherche Scientifique et du Developpement Technologique).
dc.identifier.doi10.1080/07391102.2021.1936182
dc.identifier.endpage9884
dc.identifier.issn0739-1102
dc.identifier.issn1538-0254
dc.identifier.issue20
dc.identifier.pmid34114947
dc.identifier.scopus2-s2.0-85107727713
dc.identifier.scopusqualityQ1
dc.identifier.startpage9870
dc.identifier.urihttps://doi.org/10.1080/07391102.2021.1936182
dc.identifier.urihttps://hdl.handle.net/20.500.14669/2257
dc.identifier.volume40
dc.identifier.wosWOS:000660449200001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherTaylor & Francis Inc
dc.relation.ispartofJournal of Biomolecular Structure & Dynamics
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_20241211
dc.subjectDPPH
dc.subjectLC/ESI-MS-MS
dc.subjectMolecular Docking
dc.subjectPistacia
dc.subjectlentiscus
dc.subjectxanthine oxidase
dc.titleEffect of the main constituents of Pistacia lentiscus leaves against the DPPH radical and xanthine oxidase: experimental and theoretical study
dc.typeArticle

Dosyalar

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
PubMed İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu