17th International Conference on Fundamental and Applied Aspects of Physical Chemistry (Proceedings, Volume II) (2024) [O-15-P, pp. 643-646]
AUTHOR(S) / AUTOR(I): Aleksandra Ilić 
, Alen Čebzan , Branko Radović , Nemanja Đoković and Katarina Nikolić
Download Full Pdf 
DOI: 10.46793/Phys.Chem24II.643I
ABSTRACT / SAŽETAK:
The family of histone deacetylases (HDAC) has been associated with various processes in the development and growth of many cancers. Selective inhibition improves the tolerability of HDAC inhibitors, while dual targeting of synergistic targets improves the efficacy of cancer therapy. In this article, we report the design, molecular docking studies and ADMET predictions of nine novel HDAC6/WEE1, HDAC6/GLS1 and SIRT2/AURKA dual inhibitors. The developed compounds show comparable or better docking results and ADMET properties than reference co-crystal ligands.
KEYWORDS / KLJUČNE REČI:
ACKNOWLEDGEMENT / PROJEKAT:
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.
REFERENCES / LITERATURA:
- Y. Li, E. Seto, Cold Spring Harb Perspect Med., 6(10) (2016) a026831.
- N. Djokovic, A. Djuric, D. Ruzic, T. Srdic-Rajic, K. Nikolic, Pharmaceuticals (Basel)., 16(2) (2023) 294.
- X. Du, J. Li, X. Luo, R. Li, F. Li, Y. Zhang, J. Shi, J. He, Eur J Med Chem., 203 (2020) 112524.
- K. Miyake, N. Takano, H. Kazama, H. Kikuchi, M. Hiramoto, K. Tsukahara, K. Miyazawa, Int J Oncol., 60(5) (2022) 54.
- L. Zhou, Y. Zhang, S. Chen, M. Kmieciak, Y. Leng, H. Lin, K. A. Rizzo, C. I. Dumur, A. Ferreira-Gonzalez, Y. Dai, S. Grant, Leukemia, 29(4) (2015) 807.
- Y. Chen, L. Tan, J. Gao, C. Lin, F. Wu, Y. Li, J. Zhang, Eur J Med Chem., 252 (2023) 115306.
- Q. Qiu et al., Bioact Mater., 21 (2022) 483.
- L. Zhang, S. Kim, X. Ren, Front Oncol., 10 (2020) 1721.
- R. Du, C. Huang, K. Liu, X. Li, Z. Dong, Mol Cancer, 20(1) (2021) 15.
- N. Djokovic, M. Rahnasto-Rilla, N. Lougiakis, M. Lahtela-Kakkonen, K. Nikolic, Pharmaceuticals (Basel), 16(1) (2023) 127.