Phytochemical characterization, in vitro and in silico approaches for three Hypericum species

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dc.contributor.authorLlorent-Martinez, Eulogio J.
dc.contributor.authorZengin, Gökhan
dc.contributor.authorLobine, Devina
dc.contributor.authorMolina-Garcia, Lucia
dc.contributor.authorMollica, Adriano
dc.contributor.authorMahomoodally, Mohamad Fawzi
dc.date.accessioned2020-03-26T19:55:07Z
dc.date.available2020-03-26T19:55:07Z
dc.date.issued2018
dc.departmentSelçuk Üniversitesien_US
dc.description.abstractMembers of the Hypericum genus are spread throughout the world and have a long history of use in traditional systems of medicines. In this present investigation, the methanolic extracts of aerial parts of three Hypericum species (H. olympicum (HO), H. pruinatum (HP), and H. scabrum (HS)) growing in Turkey were investigated for their key enzyme inhibitory potential. The chemical profiles were evaluated using HPLC-ESI-MSn, and their total phenolic and flavonoid contents were established. Also, relevant bioactive compounds observed in the extracts were subjected to molecular docking experiments to provide insights into their interactions with the tested enzymes. HPLC-ESI-MSn analysis revealed that the extract of HO, followed by the HS extract, has the highest total phenolic content (38 +/- 1.0 mg g(-1) DE), with flavonoids as major components. The extracts showed remarkable enzyme inhibitory effects against cholinesterases (AChE and BChE - 0.56-2.03 mgGALAE per g extract), tyrosinase, and alpha-glucosidase. Only HO (61.32 +/- 3.27 mgQE per g) and HP (39.88 +/- 2.51 mgQE per g) extracts showed notable inhibitory potency against lipase, while all the tested extracts exhibited modest activity against alpha-amylase. The phytochemicals with the most favourable interactions in the enzymatic cavity of alpha-glucosidase were found to be hyperoside, myricetin, and neo-chlorogenic acid, each with a docking score of -7.7. From these results, the three Hypericum species can be classified as potent sources of biologically active secondary metabolites, which warrant further investigations as novel medicinal products.en_US
dc.identifier.doi10.1039/c8nj00347een_US
dc.identifier.endpage5214en_US
dc.identifier.issn1144-0546en_US
dc.identifier.issn1369-9261en_US
dc.identifier.issue7en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage5204en_US
dc.identifier.urihttps://dx.doi.org/10.1039/c8nj00347e
dc.identifier.urihttps://hdl.handle.net/20.500.12395/36855
dc.identifier.volume42en_US
dc.identifier.wosWOS:000429055100049en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherROYAL SOC CHEMISTRYen_US
dc.relation.ispartofNEW JOURNAL OF CHEMISTRYen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.selcuk20240510_oaigen_US
dc.titlePhytochemical characterization, in vitro and in silico approaches for three Hypericum speciesen_US
dc.typeArticleen_US

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