Heterologous expression, biochemical characterisation and computational analysis of Bacteroides fragilis enolase

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dc.contributor.authorUğureli, Erennur
dc.contributor.authorKoçer, Sinem
dc.contributor.authorSarıyer, Emrah
dc.contributor.authorMutlu, Ozal
dc.contributor.authorİnci, Tuğba Gül
dc.contributor.authorTurgut Balık, Dilek
dc.date.accessioned2022-03-22T11:40:17Z
dc.date.available2022-03-22T11:40:17Z
dc.date.issued2022en_US
dc.departmentFakülteler, Mühendislik ve Doğa Bilimleri Fakültesi, Temel Bilimler Bölümüen_US
dc.description.abstractBacteriodes fragilis is an anaerobic bacterium found in the human intestinal flora. In this study, BfEno was targeted with a structure-based drug design approach because inhibition of this enzyme may prevent both the aerobic and anaerobic pathways due to its role in the glycolytic pathway. First, the gene encoding BfEno was cloned, expressed and the protein produced over 95% purity. The Km and Vmax values of BfEno were determined as 314.9 µM and 256.2 µmol/min.mg, respectively. Drug-like chemicals were retrieved from the ZINC database for high-throughput virtual screening analyses. As a result of screening study, the ZINC91441604 has been proposed to bind to the active site of the enzyme and remain stable. The same compound exhibited weak binding to the human enolases than the bacterial enolase. Hence, ZINC91441604 may be proposed as a novel candidate for further in vitro and in vivo drug analysis towards the treatment of B. fragilis infections.en_US
dc.identifier.citationUgurel, E., Kocer, S., Sariyer, E., Mutlu, O., Inci, T. G., Ugurel, O. M., & Turgut-Balik, D. (2022). Heterologous expression, biochemical characterisation and computational analysis of bacteroides fragilis enolase. Computational Biology and Chemistry.en_US
dc.identifier.issn1476-9271
dc.identifier.scopus2-s2.0-85125867364
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://hdl.handle.net/20.500.12939/2301
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.institutionauthorUğurel, Osman Mutluhan
dc.language.isoen
dc.relation.ispartofComputational Biology and Chemistry
dc.relation.isversionof10.1016/j.compbiolchem.2022.107658en_US
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectBacteriodes Fragilisen_US
dc.subjectEnolaseen_US
dc.subjectAntibiotic Resistanceen_US
dc.subjectStructure-Based Drug Designen_US
dc.subjectEnzyme Kineticen_US
dc.subjectIn Silico Studiesen_US
dc.titleHeterologous expression, biochemical characterisation and computational analysis of Bacteroides fragilis enolase
dc.typeArticle

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