Preparation, DFT calculations, docking studies, antioxidant, and anticancer properties of new pyrazole and pyridine derivatives

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dc.authoridTekin, Suat/0000-0002-2757-1802
dc.authoridBoulebd, Houssem/0000-0002-7727-8583
dc.authoridTekin, Zehra/0000-0003-3682-3044
dc.authoridSandal, Suleyman/0000-0002-8916-3329
dc.authoridSEKERCI, Guldeniz/0000-0002-0811-4454
dc.authoridZEBBICHE, ZINEDDINE/0000-0003-0094-3941
dc.authoridKucukbay, Fatumetuzzehra/0000-0001-7784-4138
dc.authorwosidTekin, Suat/KEI-2266-2024
dc.authorwosidBoulebd, Houssem/HMP-2883-2023
dc.authorwosidTekin, Zehra/GLR-6001-2022
dc.authorwosidSandal, Suleyman/AAA-6388-2021
dc.authorwosidTEKİN, zehra/HSH-9254-2023
dc.authorwosidŞekerci, Güldeniz/IVH-2033-2023
dc.authorwosidKucukbay, Hasan/A-5050-2019
dc.contributor.authorZebbiche, Zineddine
dc.contributor.authorSekerci, Guldeniz
dc.contributor.authorBoulebd, Houssem
dc.contributor.authorKucukbay, Fatumetuzzehra
dc.contributor.authorTekin, Suat
dc.contributor.authorTekin, Zehra
dc.contributor.authorKucukbay, Hasan
dc.date.accessioned2024-08-04T20:52:00Z
dc.date.available2024-08-04T20:52:00Z
dc.date.issued2022
dc.departmentİnönü Üniversitesien_US
dc.description.abstractSeven novel pyrazole derivatives (4a-g) and four novel starting compounds incorporating substituted pyridine moieties were synthesized successfully. Cell viability assay for the tested compounds was performed, and the inhibitory concentrationlogarithmic 50 (LogIC(50)) values of the compounds were calculated after a 24-h treatment. Four of the examined compounds (3d, 3g, 4f, and 4g) showed comparable cytotoxic activity against CaCo-2 compared to the standard drug docetaxel at 0.1 and 1 mu M concentrations. Although the LogIC(50) of docetaxel was -0.678 mu M for CaCo-2 cells at 24 h, the LogIC(50) values of compounds were -0.794, -0.567, -0.657, and -0.498 respectively. Five of the compounds (2d, 2g, 3d, 3g and 4e) showed comparable cytotoxic activity against MCF-7 at 0.1 mu M concentration compared to docetaxel (p < 0.05). Docking studies revealed the compounds have a good affinity to the active site of the human topoisomerase II beta enzyme. The antioxidant capacities of all compounds were determined using both 1,1-diphenyl-2-picrylhydrazyl and metal chelation methods. Although the compounds did not show significant antioxidant activity, relatively effective are compounds 3c, 3d, and 3g, which are hydrazine derivatives with approximately 50% antioxidant activity of standard antioxidants at concentrations of 62.5 and 125 mu g/ml.en_US
dc.description.sponsorshipInonu University, Malatya Turkey and Mentouri Constantine University, Constantine, Algeriaen_US
dc.description.sponsorshipInonu University, Malatya Turkey and Mentouri Constantine University, Constantine, Algeria, for financial supporten_US
dc.identifier.doi10.1002/jbt.23135
dc.identifier.issn1095-6670
dc.identifier.issn1099-0461
dc.identifier.issue9en_US
dc.identifier.pmid35670538en_US
dc.identifier.scopus2-s2.0-85131305013en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1002/jbt.23135
dc.identifier.urihttps://hdl.handle.net/11616/100695
dc.identifier.volume36en_US
dc.identifier.wosWOS:000806995000001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherWileyen_US
dc.relation.ispartofJournal of Biochemical and Molecular Toxicologyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectanticancer activityen_US
dc.subjectantioxidant activityen_US
dc.subjectDFT and docking studiesen_US
dc.subjectpyrazole derivativesen_US
dc.subjectpyridine derivativesen_US
dc.titlePreparation, DFT calculations, docking studies, antioxidant, and anticancer properties of new pyrazole and pyridine derivativesen_US
dc.typeArticleen_US

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