Therapeutic potential of phospho-thiadiazole derivatives as anti-glioblastoma agents: synthesis, biological assessment and computational study

0561914 - FZÚ 2023 RIV US eng J - Článek v odborném periodiku
Gholivand, K. - Faraghi, M. - Fallah, N. - Babaei, A. - Pirastehfar, F. - Dušek, Michal - Eigner, Václav - Salimi, F.
Therapeutic potential of phospho-thiadiazole derivatives as anti-glioblastoma agents: synthesis, biological assessment and computational study.
Bioorganic Chemistry. Roč. 129, Dec. (2022), č. článku 106123. ISSN 0045-2068. E-ISSN 1090-2120
Grant CEP: GA MŠMT(CZ) EF16_019/0000760
Grant ostatní: OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Institucionální podpora: RVO:68378271
Klíčová slova: phospho thiadiazole * anticancer activity * X-ray structure * DFT calculation * molecular docking
Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
Impakt faktor: 5.1, rok: 2022
Způsob publikování: Omezený přístup
https://doi.org/10.1016/j.bioorg.2022.106123

In this study, three new phospho thiadiazole compounds (A, F and W) were investigated as possible cytotoxic agents. The compounds were synthesised and characterised by using spectroscopy methods. The crystal structure of compound A was investigated using X-ray crystallography, since the title compounds can exist as different tautomeric forms, their conformational and geometrical aspects were investigated computationally by the DFT method. NBO analysis suggested that these compounds can function as appropriate ligands for the reaction with the nitrogen bases of DNA. All the synthesised compounds w ere evaluated in vitro for their cytotoxic activities against cancer in the human glioblastoma cell lines (U-251) using the MTT assay.
Trvalý link: https://hdl.handle.net/11104/0334335