AUTHOR(S) / AUTOR(I): Marijana Živković, Irena Novaković, Sandra Šegan, Neda Đorđević, Dušan Sladić
DOI: 10.46793/SBT30.66MZ
ABSTRACT / SAŽETAK:
Thiosemicarbazones (TSCs) are well known for their diverse biological activities and wide-ranging applications. This study assessed the drug- likeness and antioxidant potential of previously synthesized steroidal TSCs with promising cytotoxicity. While all tested androstane TSCs are drug-like, they have poor water solubility, strong plasma protein binding ability, and low blood-brain barrier permeability. Mono-TSCs show better absorption parameters, but bis- TSCs are stronger antioxidants, with compound 4 being 4.5 times more active than ascorbic acid. All tested TSCs could be considered potential cytotoxic and antioxidant agents.
KEYWORDS / KLJUČNE REČI:
Lipinski’s Rule of Five (Ro5), DPPH assay, UV−Vis spectroscopic determination, prediction of oral bioavailability
ACKNOWLEDGEMENT / PROJEKAT:
The research presented in this article was financially supported by the Ministry for Science, Technological Development and Innovation of the Republic of Serbia (Grants no. 451-03-66/2024-03/200026, and 451-03-136/2025- 03/200017).
REFERENCES / LITERATURA:
- Blois M. S. (1958). Antioxidant determinations by the use of a stable free radical. Nature. 181, 1199–1200.
- Molinspiration Calculator, https://www.molinspiration.com preADMET software, https://preadmet.qsarhub.com/adme/ pkCSM software, https://biosig.lab.uq.edu.au/pkcsm
- Raczuk E., Dmochowska B., Samaszko-Fiertek J., Madaj J. (2022). Different Schiff bases – structure, importance and classification. Molecules, 27, 787– 811.
- Šegan S., Krunić M. J., Andrić D. B., Šukalović V. B., Penjišević J. Z., Jevtić I. I. (2024). Evaluation of lipophilicity and drug-likeness of donepezil-like compounds using reversed-phase thin-layer chromatography. Biomedical Chromatography. 38, 5867–5876.
- Zahra S. B., Khan A., Ahmed N., Rafique M., Fatima L., Khan I., Hussain J., Khalid S., Ogaly H.A., Ahmed M. M., Al-Harrasi A., Shafiq Z. (2025). Versatile biological activities of thiosemicarbazones and their metal complexes. Journal of Molecular Structure. 1322, 140511–140546.
- Živković M. B., Matić I. Z., Rodić M. V., Novaković I. T., Sladić D. M., Krstić N. (2016). Synthesis, characterization and in vitro cytotoxic activities of new steroidal thiosemicarbazones and thiadiazolines. RSC Advances. 6, 34312– 34333.