In silico and biological activity evaluation of quercetin-boron hybrid compounds, anti-quorum sensing effect as alternative potential against microbial resistance

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dc.authorid0000-0001-9225-7425en_US
dc.authorid0000-0002-5770-0847en_US
dc.authorid0000-0002-2193-8386en_US
dc.authorid0000-0002-5331-2206en_US
dc.authorid0000-0002-5216-7588en_US
dc.contributor.authorTemel, Hamdi
dc.contributor.authorAtlan, Metin
dc.contributor.authorTürkmenoğlu, Burçin
dc.contributor.authorErtaş, Abdulselam
dc.contributor.authorErdönmez, Demet
dc.contributor.authorÇalışkan, Ufuk Koca
dc.date.accessioned2023-08-09T12:52:58Z
dc.date.available2023-08-09T12:52:58Z
dc.date.issued2023en_US
dc.departmentDicle Üniversitesi, Fen Fakültesi, Kimya Bölümüen_US
dc.description.abstractBoronic acid compounds and the natural flavonoid compound quercetin were handled to synthesize two novel ligands encoded as B1(2,2′ -(1,4-phenylenebis (benzo [1,3,2] dioxaborole-2,5-diyl)) bis (3,5,7-trihydroxy-4Hchromen-4-one) and B2(3.3.6. 3,5,7-trihydroxy-2-(2-(6-methoxypyridin-3-yl)benzo[d][1,3,2]dioxaborol-5-yl)− 4 H-chromene-4). Antioxidant activities of ligands were investigated by DPPH, ABTS and CUPRAC methods. Cholinesterase inhibition effects of ligands were determined by acetylcholinesterase and butyrylcholinesterase enzyme inhibition methods, cytotoxic effects of ligands were applied to healthy breast and colon cancer cell lines by MTT method, and urease and tyrosinase enzyme activities were determined. Antimicrobial properties of the compounds were analyzed by detecting their anti-QS potentials on Chromobacterium violaceum biosensor strain. Both compounds were found to have significant antioxidant effects compared to controls. It was determined that the compound B1 at 1–10 µg/mL was more active than the reference compounds (α-TOC and BHT). Moreover, the enzyme activity studies on ligands demonstrated that acetylchoinesterase and butyrylcholinesterase enzyme inhibitions were higher than the reference compounds. As expected, boron derivatives exhibited respectable activity against the biofilms of Escherichia coli (E. coli) and P. aeruginosa (P. aeruginosa). These results demonstrate the potential applicability of boron derivatives in the treatment of biofilm-associated infections and provide a practical strategy for the design of new boron-based antimicrobial materials. In silico molecular docking studies were performed on ligands to identify newly synthesized compounds. The binding parameter values and binding sites of the compounds were also determined. In conclusion, our studies showed that newly synthesized hybrid compounds could be solutions for antimicrobial resistance and enzyme-related disorders.en_US
dc.identifier.citationTemel, H., Atlan, M., Türkmenoğlu, B., Ertaş, A., Erdönmez, D. ve Çalışkan, U. K. (2023). In silico and biological activity evaluation of quercetin-boron hybrid compounds, anti-quorum sensing effect as alternative potential against microbial resistance. Journal of Trace Elements in Medicine and Biology, (77), 1-10.en_US
dc.identifier.doi10.1016/j.jtemb.2023.127139
dc.identifier.endpage10en_US
dc.identifier.issn0946-672X
dc.identifier.issue77en_US
dc.identifier.pmid36791625
dc.identifier.scopus2-s2.0-85147950127
dc.identifier.scopusqualityQ1
dc.identifier.startpage1en_US
dc.identifier.urihttps://www.sciencedirect.com/science/article/pii/S0946672X23000159?via%3Dihub
dc.identifier.urihttps://hdl.handle.net/11468/12459
dc.identifier.wosWOS:000947405700001
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.institutionauthorAtlan, Metin
dc.institutionauthorErtaş, Abdulselam
dc.language.isoenen_US
dc.publisherElsevier GmbHen_US
dc.relation.ispartofJournal of Trace Elements in Medicine and Biology
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectBoronen_US
dc.subjectQuercetinen_US
dc.subjectAntioxidanten_US
dc.subjectAntibacterialen_US
dc.subjectChromobacterium violaceumen_US
dc.subjectAnti-quorum sensingen_US
dc.subjectQSen_US
dc.subjectMTT methoden_US
dc.subjectMolecular Docking Studiesen_US
dc.titleIn silico and biological activity evaluation of quercetin-boron hybrid compounds, anti-quorum sensing effect as alternative potential against microbial resistanceen_US
dc.titleIn silico and biological activity evaluation of quercetin-boron hybrid compounds, anti-quorum sensing effect as alternative potential against microbial resistance
dc.typeArticleen_US

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