Rational design of selective histone deacetylase inhibitors
Аутори
Ružić, DušanĐoković, Nemanja
Petković, Miloš
Agbaba, Danica
Lahtela-Kakkonen, Maija
Ganesan A, A.
Nikolić, Katarina
Конференцијски прилог (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Извор:
Physical Chemistry 2018 (Proceedings) 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry, 24-28 September, 2018, Belgrade, Serbia, 2018, II, 923-929Издавач:
- Society of Physical Chemists of Serbia
Финансирање / пројекти:
- Синтеза, квантитативни однос између структуре и дејства, физичко-хемијска карактеризација и анализа фармаколошки активних супстанци (RS-MESTD-Basic Research (BR or ON)-172033)
Напомена:
- 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry, 24-28 September, 2018, Belgrade, Serbia
Институција/група
PharmacyTY - 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 .