17th International Conference on Fundamental and Applied Aspects of Physical Chemistry (Proceedings, Volume II) (2024) [O-01-SL, pp. 593]
AUTHOR(S) / АУТОР(И): Nemanja Djokovic 
, Minna Rahnasto-Rilla , Ana Djuric , Dušan Ruzic , Miloš Petkovic , Tatjana Srdic-Rajic and Maija Lahtela-Kakkonen
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DOI: 10.46793/Phys.Chem24II.593DJ
ABSTRACT / САЖЕТАК:
Sirtuin 2 inhibitors (SIRT2i) represent a promising avenue in pharmaceutical research particularly for their potential in addressing neurodegenerative and malignant diseases. However, despite preclinical success, no SIRT2 inhibitors have reached clinical trials, highlighting the need for further development. Key challenges include understanding the complex conformational dynamics of SIRT2, lack of structure-activity correlation, and limited exploration of pharmacological contexts. This study aims to establish a platform integrating molecular modelling, cheminformatics, and bioinformatics approaches to aid in rational design of SIRT2 inhibitors.
KEYWORDS / КЉУЧНЕ РЕЧИ:
ACKNOWLEDGEMENT / ПРОЈЕКАТ:
This research was funded by the Ministry of Science, Technological Development and Innovation, Republic of Serbia through two Grant Agreements with University of Belgrade-Faculty of Pharmacy No 451-03-65/2024-03/200161 and No 451-03-66/2024-03/200161. The authors thank the COST Actions CA18240, CA18133 and CA22125 of the European Community for support.
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