TY  - CONF
AU  - Ružić, Dušan
AU  - Đoković, Nemanja
AU  - Petković, Miloš
AU  - Agbaba, Danica
AU  - Lahtela-Kakkonen, Maija
AU  - Ganesan A, A.
AU  - Nikolić, Katarina
PY  - 2018
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4924
AB  - The concept of gene expression is continuously explained with epigenetic modifications. One of the most studied enzymes which have an influence on histone posttranslational modifications are histone deacetylases (HDACs). The overexpression and alterations in the structure of HDACs isoforms are described in the pathogenesis of cancer, inflammation and neurodegeneration. With different cellular function and tissue distribution of HDACs, scientists introduced them as attractive targets used in novel drug discovery protocols.
Rational drug design of novel small molecules is usually guided by computational approaches. In our laboratory, we use ligand-based (pharmacophore modeling and virtual screening) and structure-based (molecular docking and molecular dynamics) drug design methodologies. The main focus in our drug design project is identification of selective HDAC6 and SIRT2 inhibitors. With respect to all published data, very small number of selective HDAC modulators has been reported so far. Here, we present rational design of novel selective HDAC6 and SIRT2 inhibitors as promising drug candidates for further development and structure optimization.
PB  - Society of Physical Chemists of Serbia
C3  - Physical Chemistry 2018 (Proceedings) 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry, 24-28 September, 2018, Belgrade, Serbia
T1  - Rational design of selective histone deacetylase inhibitors
VL  - II
SP  - 923
EP  - 929
UR  - https://hdl.handle.net/21.15107/rcub_farfar_4924
ER  - 

@conference{
author = "Ružić, Dušan and Đoković, Nemanja and Petković, Miloš and Agbaba, Danica and Lahtela-Kakkonen, Maija and Ganesan A, A. and Nikolić, Katarina",
year = "2018",
abstract = "The concept of gene expression is continuously explained with epigenetic modifications. One of the most studied enzymes which have an influence on histone posttranslational modifications are histone deacetylases (HDACs). The overexpression and alterations in the structure of HDACs isoforms are described in the pathogenesis of cancer, inflammation and neurodegeneration. With different cellular function and tissue distribution of HDACs, scientists introduced them as attractive targets used in novel drug discovery protocols.
Rational drug design of novel small molecules is usually guided by computational approaches. In our laboratory, we use ligand-based (pharmacophore modeling and virtual screening) and structure-based (molecular docking and molecular dynamics) drug design methodologies. The main focus in our drug design project is identification of selective HDAC6 and SIRT2 inhibitors. With respect to all published data, very small number of selective HDAC modulators has been reported so far. Here, we present rational design of novel selective HDAC6 and SIRT2 inhibitors as promising drug candidates for further development and structure optimization.",
publisher = "Society of Physical Chemists of Serbia",
journal = "Physical Chemistry 2018 (Proceedings) 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry, 24-28 September, 2018, Belgrade, Serbia",
title = "Rational design of selective histone deacetylase inhibitors",
volume = "II",
pages = "923-929",
url = "https://hdl.handle.net/21.15107/rcub_farfar_4924"
}

Ružić, D., Đoković, N., Petković, M., Agbaba, D., Lahtela-Kakkonen, M., Ganesan A, A.,& Nikolić, K.. (2018). Rational design of selective histone deacetylase inhibitors. in Physical Chemistry 2018 (Proceedings) 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry, 24-28 September, 2018, Belgrade, Serbia
Society of Physical Chemists of Serbia., II, 923-929.
https://hdl.handle.net/21.15107/rcub_farfar_4924

Ružić D, Đoković N, Petković M, Agbaba D, Lahtela-Kakkonen M, Ganesan A A, Nikolić K. Rational design of selective histone deacetylase inhibitors. in Physical Chemistry 2018 (Proceedings) 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry, 24-28 September, 2018, Belgrade, Serbia. 2018;II:923-929.
https://hdl.handle.net/21.15107/rcub_farfar_4924 .

Ružić, Dušan, Đoković, Nemanja, Petković, Miloš, Agbaba, Danica, Lahtela-Kakkonen, Maija, Ganesan A, A., Nikolić, Katarina, "Rational design of selective histone deacetylase inhibitors" in Physical Chemistry 2018 (Proceedings) 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry, 24-28 September, 2018, Belgrade, Serbia, II (2018):923-929,
https://hdl.handle.net/21.15107/rcub_farfar_4924 .