2026-10-29T22:40:37Zhttps://bayburt-rdlopen.rawdatalibrary.net/oai/request

oai:bayburt-rdlopen.rawdatalibrary.net:bayburt/115322026-10-29T19:41:42Zopenairedrivercom_bayburt_10000col_bayburt_10001com_bayburt_10010col_bayburt_10222

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 studyKarakaş Sarıkaya, EbruPehlivanoğlu, SurayTürkmen, Merve ÖzcanEkincioğlu, YavuzKostak, FeyzaÇelik, SultanDereli, Ömer3,5-dibromosalicylaldehydeanticancerDFTELISAMolecular dockingNetrin-1Background Information: The 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. Results: Subsequently, 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. Conclusion: Identifying 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. Significance: This work analyzes 3,5-DBSA's conformational search, characterization, molecular docking, and structural and anticancer properties.John Wiley and Sons Inc2025Articlehttps://rdlopen.rawdatalibrary.net/r/bayburt/11532https://doi.org/10.1111/boc.2024001380248-4900enBiology of the Cellinfo:eu-repo/semantics/openAccessinfo:eu-repo/semantics/articlehttps://bayburt-rdlopen.rawdatalibrary.net/tr/items/bayburt/11532