Xanthine oxidase inhibitory activity of new pyrrole carboxamide derivatives: In vitro and in silico studies

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dc.authoridTASKIN TOK, Tugba/0000-0002-0064-8400
dc.authoridAteş, Burhan/0000-0001-6080-229X
dc.authoridKIBRIZ, İBRAHİM EVREN/0000-0001-6217-9585
dc.authorwosidTASKIN TOK, Tugba/A-8885-2016
dc.authorwosidNOMA, SAMIR/ABH-1773-2021
dc.authorwosidYILDIRIM, İSMAİL/A-5023-2018
dc.authorwosidkibriz, İbrahim Evren/HGA-3766-2022
dc.authorwosidAteş, Burhan/AAA-3730-2021
dc.authorwosidKIBRIZ, İBRAHİM EVREN/HGA-3746-2022
dc.contributor.authorKibriz, Ibrahim Evren
dc.contributor.authorSacmaci, Mustafa
dc.contributor.authorYildirim, Ismail
dc.contributor.authorNoma, Samir Abbas Ali
dc.contributor.authorTok, Tugba Taskin
dc.contributor.authorAtes, Burhan
dc.date.accessioned2024-08-04T20:45:24Z
dc.date.available2024-08-04T20:45:24Z
dc.date.issued2018
dc.departmentİnönü Üniversitesien_US
dc.description.abstractPyrrole carboxamide rings are rarely used as active scaffold in designing inhibitors for enzymes. Herein, we described the structure-activity relationship for novel xanthine oxidase inhibitors based on the pyrrole carboxamide scaffold. A series of novel-substituted pyrrole carboxamide derivatives were synthesized and characterized; their in vitro and in silico inhibitory activities were determined against xanthine oxidase. Among these compounds, those which contain no substituent and one methyl group at the para-position of the phenyl moiety in the main structure, respectively, were found out as most active according to the xanthine oxidase inhibition activity study. In silico techniques reveal why these compounds display more activities than others, based on their binding interactions with xanthine oxidase and the surface scanning results of the enzyme. Furthermore, the binding energy calculations displayed good agreement with the experimental activity values.en_US
dc.description.sponsorshipBozok University [6602c-FEF/17-72]en_US
dc.description.sponsorshipBozok University, Grant number: 6602c-FEF/17-72en_US
dc.identifier.doi10.1002/ardp.201800165
dc.identifier.issn0365-6233
dc.identifier.issn1521-4184
dc.identifier.issue10en_US
dc.identifier.pmid30168852en_US
dc.identifier.scopus2-s2.0-85052844886en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1002/ardp.201800165
dc.identifier.urihttps://hdl.handle.net/11616/98459
dc.identifier.volume351en_US
dc.identifier.wosWOS:000446308600004en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherWiley-V C H Verlag Gmbhen_US
dc.relation.ispartofArchiv Der Pharmazieen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectIC50en_US
dc.subjectinhibitor activityen_US
dc.subjectmolecular dockingen_US
dc.subjectpyrrole carboxamideen_US
dc.subjectxanthine oxidaseen_US
dc.titleXanthine oxidase inhibitory activity of new pyrrole carboxamide derivatives: In vitro and in silico studiesen_US
dc.typeArticleen_US

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