Anticancer (cytotoxic, anticlonogenic, antimetastatic, immunomodulatory actions) properties of 3,5-dibromosalicylaldehyde against glioblastoma cells and DFT analyses (FT-IR, Raman, NMR, UV) as well as a molecular docking study

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dc.authorid0000-0001-7422-2974
dc.authorid0000-0003-2149-9341
dc.authorid0000-0003-1562-9269
dc.contributor.authorSarikaya, Ebru Karakas
dc.contributor.authorPehlivanoglu, Suray
dc.contributor.authorTurkmen, Merve Ozcan
dc.contributor.authorEkincioglu, Yavuz
dc.contributor.authorKostak, Feyza
dc.contributor.authorCelik, Sultan
dc.contributor.authorDereli, Omer
dc.date.accessioned2026-02-28T12:18:00Z
dc.date.available2026-02-28T12:18:00Z
dc.date.issued2025
dc.departmentBayburt Üniversitesi
dc.description.abstractBackground InformationThe primary objectives of this study were to characterize 3,5-dibromosalicylaldehyde (3,5-DBSA) and, investigate its antiproliferative, antimetastatic, cytotoxic, and immunoregulatory properties. NMR, Raman, UV, and FT-IR spectroscopies were used to characterize 3,5-DBSA. Potential conformations of 3,5-DBSA were evaluated using Spartan's MMFF method. Geometry optimization calculations using Gaussian software calculated conformation energy values. ResultsSubsequently, Raman, FT-IR, UV (ethanol) and NMR (DMSO) parameters were calculated. The experimental spectrum was compared to theoretical spectroscopic data. The present investigation investigated 3,5-DBSA's anticancer properties; therefore, docking was done once the stable structure had been identified. ConclusionIdentifying stable structure is crucial to molecular docking studies. In order to identify the mechanism by which 3,5-DBSA binds to PI3K as a therapeutic target, molecular docking was utilized. This work is the first to show that 3,5-DBSA is cytotoxic, anticlonogenic, antimetastatic, and immunomodulatory in glioblastoma cell line U87MG compared to healthy fibroblast L929 cells. Cytotoxicity and anti-clonogenicity studies investigated 3,5-DBSA's antiproliferative activities, whereas wound healing assays assessed cell migration. The immunomodulatory effects of 3,5-DBSA in glioblastoma were assessed by measuring Netrin-1 and IL-6 protein levels. According to our findings, 3,5-DBSA may treat glioblastoma. SignificanceThis work analyzes 3,5-DBSA's conformational search, characterization, molecular docking, and structural and anticancer properties.
dc.identifier.doi10.1111/boc.202400138
dc.identifier.issn0248-4900
dc.identifier.issn1768-322X
dc.identifier.issue2
dc.identifier.pmid39924847
dc.identifier.scopus2-s2.0-85217400896
dc.identifier.scopusqualityQ3
dc.identifier.urihttps://doi.org/10.1111/boc.202400138
dc.identifier.urihttps://hdl.handle.net/20.500.12403/6069
dc.identifier.volume117
dc.identifier.wosWOS:001416874600001
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherWiley
dc.relation.ispartofBiology of The Cell
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20260218
dc.subject3,5-dibromosalicylaldehyde
dc.subjectanticancer
dc.subjectDFT
dc.subjectELISA
dc.subjectMolecular docking
dc.subjectNetrin-1
dc.titleAnticancer (cytotoxic, anticlonogenic, antimetastatic, immunomodulatory actions) properties of 3,5-dibromosalicylaldehyde against glioblastoma cells and DFT analyses (FT-IR, Raman, NMR, UV) as well as a molecular docking study
dc.typeArticle

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