AUTHOR(S) / AUTOR(I): Marijana Živković 
, Srđan Tufegdžić , Sandra Šegan
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DOI: https://doi.org/10.46793/SBT26.811Z
ABSTRACT / SAŽETAK:
Steroidal bis-thiosemicarbazones and their cyclic derivatives, thiadiazolines (TDZs) and triazoline-3-thiones (TATs), were evaluated in silico (Molinspiration, pkCSM) to assess drug-likeness and pharmacokinetic properties. With the exception of cholestane-based derivatives, most compounds complied with Lipinski’s criteria or showed only a single violation. TDZs exhibited the most balanced predicted absorption–distribution profile, while TATs were characterized by favorable intestinal absorption and higher predicted volume of distribution, supporting their consideration for further synthesis and biological evaluation.
KEYWORDS / KLJUČNE REČI:
Lipinski’s Rule of Five (Ro5), Pharmacokinetics, ADME, bis-[1,3,4]-Thiadiazolines (TDZs), bis-[1,2,4]-Triazoline-3-thiones (TATs)
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 (Grant no. 451-03-136/2025-03/200026).
REFERENCES / LITERATURA:
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- Molinspiration Calculator, https://www.molinspiration.com
- pkCSM software, https://biosig.lab.uq.edu.au/pkcsm