Combined experimental and theoretical analyses on design, synthesis, characterization, and in vitro cytotoxic activity evaluation of some novel imino derivatives containing pyrazolone ring

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dc.authoridcakmak, resit/0000-0003-0401-7419
dc.authoridBasaran, Eyup/0000-0002-7840-5919
dc.authoridAkkoc, Senem/0000-0002-1260-9425
dc.contributor.authorBasaran, Eyup
dc.contributor.authorCakmak, Resit
dc.contributor.authorAkkoc, Senem
dc.contributor.authorKaya, Savas
dc.date.accessioned2024-10-26T18:09:12Z
dc.date.available2024-10-26T18:09:12Z
dc.date.issued2022
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractIn this research, some novel Schiff base derivatives 10-18 were synthesized for the first time, character-ized, and tested for their anticancer activities. Spectroscopic characterization of the synthesized molecules 1-18 was carried out by using elemental analysis (C, H, N, S), FT-IR, HRMS, H-1 -and( 13 )C-NMR and DEPT -135 spectroscopic techniques. The antiproliferative activity studies of all newly synthesized compounds were tested against different human cancer cell lines, including colon and liver, using an MTT assay for 48 h. Under specified experimental conditions, three molecules (13-15) demonstrated higher cytotoxic ac-tivity than other molecules (1-12, 16-18) toward human epithelial colon colorectal cancer cell line (DLD-1) with IC(50 )values of 67.88, 56.53, and 48.70 mu M, respectively. Besides, two different molecules (8 and 17) were found to have more toxic effects than molecules (1-7, 9-16, 18) against human liver epithelial hepatocellular carcinoma cell line (HepG2) with IC50 values of 65.72 and 54.84 mu M, respectively. The se-lectivity of these compounds, which show high activity, was also tested on a healthy human cell line (Wl-38). Compounds (1-18) were docked against target proteins (PDB ID: 5ETY and 6V9C) representing DLD-1 and HepG2 cell lines. (C) 2022 Elsevier B.V. All rights reserved.
dc.description.sponsorshipDepartment of Chemistry and Chemical Processing Technologies, Technical Sciences of Vocational School, Batman University [TSG-2021-8458]; Suleyman Demirel University Research Fund [TSG-2021-8458]
dc.description.sponsorshipThe authors would like to thank Department of Chemistry and Chemical Processing Technologies, Technical Sciences of Vocational School, Batman University for laboratory support and would like to thank Suleyman Demirel University Research Fund (TSG-2021-8458) for financial support.
dc.identifier.doi10.1016/j.molstruc.2022.133427
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85131382318
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2022.133427
dc.identifier.urihttps://hdl.handle.net/20.500.12418/29974
dc.identifier.volume1265
dc.identifier.wosWOS:000814762200005
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectAryl sulfonate
dc.subjectHeterocyclic Schiff base
dc.subjectCytotoxic activity
dc.subjectMolecular docking
dc.titleCombined experimental and theoretical analyses on design, synthesis, characterization, and in vitro cytotoxic activity evaluation of some novel imino derivatives containing pyrazolone ring
dc.typeArticle

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