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dc.contributor.authorYakarsonmez, Sinem
dc.contributor.authorDanis, Ozkan
dc.contributor.authorMutlu, Ozal
dc.contributor.authorTopuzogullari, Murat
dc.contributor.authorSariyer, Emrah
dc.contributor.authorYuce-Dursun, Basak
dc.contributor.authorTurgut-Balik, Dilek
dc.date.accessioned2021-11-09T19:49:38Z
dc.date.available2021-11-09T19:49:38Z
dc.date.issued2020
dc.identifier.issn1381-1991
dc.identifier.issn1573-501X
dc.identifier.urihttps://doi.org/10.1007/s11030-019-10018-9
dc.identifier.urihttps://hdl.handle.net/20.500.12440/4090
dc.description.abstractIn this study, the inhibition potential of 3- and 4-arylcoumarin derivatives on Theileria annulata enolase (TaENO) was assessed for the first time in the literature. Firstly, protein stabilization analyses of TaENO were performed and it was found that the enzyme remains stable with the addition of 6 M ethylene glycol at + 4 degrees C. Inhibitor screening analyses were carried out using 25 coumarin derivatives on highly purified TaENO (> 95%), and four coumarin derivatives [4-(3,4-dimethoxyphenyl)-6,7-dihydroxy-2H-chromen-2-one (C8); 4-(3,4-dihydroxyphenyl)-7,8 dihydroxy-2H-chromen-2-one (C9); 4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-2H-chromen-2 one (C21); and 3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2H-chromen-2-one (C23)] showed the highest inhibitory effects with the IC50 values of 10.450, 13.170, 8.871 and 10.863 mu M, respectively. The kinetic results indicated that these compounds inhibited the enzyme by uncompetitive inhibition. In addition, the successful binding of the most potent inhibitor (C21) into TaENO was confirmed by using MALDI-TOF mass spectrophotometry. Molecular docking analyses have predicted that C8 and C21 coumarin derivatives which showed high inhibitory effects on TaENO were interacted with high affinity to the potential regions out of the active site. Taken together, these coumarin derivatives (C8, C9, C21 and C23) are first known potent, nonsubstrate, uncompetitive inhibitors of TaENO and these results will facilitate further in vitro and in vivo analysis toward structure-based drug design studies. [GRAPHICS] .en_US
dc.description.sponsorshipGeneral Directorate of Agricultural Research and Policies of Republic of Turkey Ministry of Food, Agriculture and LivestockGida Tarim Ve Hayvancilik Bakanligi [TAGEM-14/AR-GE/17]; TUBITAK BIDEB 2211-A National Scholarship Program for Ph.D. StudentsTurkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK)en_US
dc.description.sponsorshipThis study is supported by General Directorate of Agricultural Research and Policies of Republic of Turkey Ministry of Food, Agriculture and Livestock (Project No: TAGEM-14/AR-GE/17). The opinions expressed here are those of the authors and do not necessarily reflect the views of General Directorate of Agricultural Research and Policies (TAGEM) of Republic of Turkey Ministry of Food, Agriculture and Livestock. Sinem Yakarsonmez was supported by TUBITAK BIDEB 2211-A National Scholarship Program for Ph.D. Students.en_US
dc.language.isoengen_US
dc.publisherSpringeren_US
dc.relation.ispartofMolecular Diversityen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectStructure-based drug designen_US
dc.subjectTheileriosisen_US
dc.subjectDrug resistanceen_US
dc.subjectCoumarinen_US
dc.subjectEnolaseen_US
dc.subjectEnzyme inhibitionen_US
dc.titleDiscovery and evaluation of inhibitory activity and mechanism of arylcoumarin derivatives on Theileria annulata enolase by in vitro and molecular docking studiesen_US
dc.typearticleen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.description.wospublicationidWOS:000498621700001en_US
dc.description.scopuspublicationid2-s2.0-85075365125en_US
dc.departmentGümüşhane Üniversitesien_US
dc.authoridKocer, Sinem / 0000-0003-0517-7422
dc.authoridSARIYER, Emrah / 0000-0003-1721-0314
dc.authoridDanis, Ozkan / 0000-0003-1781-0520
dc.identifier.volume24en_US
dc.identifier.issue4en_US
dc.identifier.startpage1149en_US
dc.identifier.doi10.1007/s11030-019-10018-9
dc.identifier.endpage1164en_US
dc.authorwosidKocer, Sinem / N-8859-2019
dc.authorwosidSARIYER, Emrah / AAE-2851-2019
dc.authorwosidTurgut-Balik, Dilek / AAZ-5212-2020
dc.authorscopusid57016772000
dc.authorscopusid26638740000
dc.authorscopusid55363017300
dc.authorscopusid16744519800
dc.authorscopusid57016727200
dc.authorscopusid36607138200
dc.authorscopusid6507777544
dc.description.pubmedpublicationidPubMed: 31754915en_US


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