3rd International Conference on Chemo and BioInformatics, Kragujevac, September 25-26. 2025. (pp. 640-643)
AUTOR(I) / AUTHOR(S): Petar B. Stanić, Biljana M. Šmit
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DOI: 10.46793/ICCBIKG25.640S
SAŽETAK / ABSTRACT:
This study is a continuation of our previous work in which we examined the anticancer potential of a series of zingerone 2-thiohydantoin derivatives. Using molecular docking, we explored whether beta blocking is a possible mechanism of their anticancer action. Active and inactive derivatives were docked into the structure of the beta-2 adrenergic receptor and their preferred binding sites, binding affinities and interactions were compared and discussed. The results show a discernible difference in which the active and inactive derivatives interact with the receptor and indicate that beta blocking could be a possible mechanism of their anticancer action.
KLJUČNE REČI / KEYWORDS:
2-thiohydantoin, beta-2 adrenergic receptor, molecular docking
PROJEKAT / ACKNOWLEDGEMENT:
This research is funded by the Ministry of Education and Ministry of Science, Technological Development and Innovation, Republic of Serbia, Grant No. 451-03- 136/2025-03/200378.
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