A comparative in vitro and in silico study of the biological potential and chemical fingerprints of Dorcycinum pentapyllum subsp haussknechtii using three extraction procedures

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dc.contributor.authorUysal, Şengül
dc.contributor.authorAktümsek, Abdurrahman
dc.contributor.authorPicot, Carene M. N.
dc.contributor.authorSahan, Alime
dc.contributor.authorMollica, Adriano
dc.contributor.authorZengin, Gökhan
dc.contributor.authorMahomoodally, Mohamad Fawzi
dc.date.accessioned2020-03-26T19:33:24Z
dc.date.available2020-03-26T19:33:24Z
dc.date.issued2017
dc.departmentSelçuk Üniversitesien_US
dc.description.abstractWe probed into the effect of different extraction procedures (maceration, Soxhlet extraction, and ultrasonication) on the phytochemical profiles and bioactivities of ethyl acetate, methanol, and water extracts of Dorcycinum pentapyllum subsp. haussknechtii. The antioxidant (ABTS and DPPH), reducing power (CUPRAC and FRAP), phosphomolybdenum, metal chelation, and enzyme inhibitory activities (acetylcholinesterase (AChE), butyrylcholinesterase (BChE), tyrosinase, a-amylase, and a-glucosidase) were determined. The total phenolic and flavonoid contents together with the phenolic compounds were evaluated by RP-HPLC. Molecular modeling calculations were applied to relevant bioactive compounds observed in the extracts and docked to targeted enzymes used in order to elucidate their docking characteristics and possible interactions. The type of extraction technique was found to affect the concentration of phytochemicals (maceration, Soxhlet extraction, and ultrasonication gave 3052, 3616, and 3252 mg g(-1) extract, respectively). The highest values of the total phenolic content and antioxidant activities followed the same order, highlighting a possible relationship between strong antioxidant action and high phytochemical content. Ethyl acetate extracts were potent inhibitors of a-amylase while methanol extracts showed pronounced activity against a-glucosidase. Methanol extracts of D. pentapyllum were potent inhibitors of AChE. BChE was inhibited by water extracts. The best docking pose and DG binding energy calculations revealed that quercetin had a preference for a-amylase and AChE, whereas rutin was capable of docking efficaciously to BChE, a-glucosidase, and tyrosinase. Evidence from the present study advocates the need for exploring different extraction techniques in an endeavour to discover unique bioactive lead compounds that could target specific ailments.en_US
dc.identifier.doi10.1039/c7nj03497ken_US
dc.identifier.endpage13960en_US
dc.identifier.issn1144-0546en_US
dc.identifier.issn1369-9261en_US
dc.identifier.issue22en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage13952en_US
dc.identifier.urihttps://dx.doi.org/10.1039/c7nj03497k
dc.identifier.urihttps://hdl.handle.net/20.500.12395/34710
dc.identifier.volume41en_US
dc.identifier.wosWOS:000414440000085en_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.titleA comparative in vitro and in silico study of the biological potential and chemical fingerprints of Dorcycinum pentapyllum subsp haussknechtii using three extraction proceduresen_US
dc.typeArticleen_US

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