Rational design, synthesis and in vitro testing of selective HDAC6 and SIRT2 inhibitors
Аутори
Ružić, DušanĐoković, Nemanja
Petković, Miloš
Agbaba, Danica
Gul, Sheraz
Lahtela‐Kakkonen, Maija
Ganesan, A.
Santibanez, Juan
Srdić-Rajić, Tatjana
Nikolić, Katarina
Конференцијски прилог (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
Histone deacetylases (HDACs) are epigenetic enzymes involved in regulation of histone posttranslational
modifications and gene expression. Since changed function of HDACs is involved in pathogenesis of cancer 1-3,
the HDAC inhibitors are extensive examined as promising anticancer agents. In our in silico study we have
combined structure-based, ligand-based, and fragment-based methodologies to design selective inhibitors against
cytoplasmic isoforms of HDAC, such as histone deacetylase 6 inhibitors (HDAC6) and SIRT2. The drug design
study has defined several promising selective HDAC6 and SIRT2 inhibitors for further synthesis and in vitro
testing. Based on the in vitro activities of the novel compounds in a panel of biochemical HDAC assays as well
as various cell-based assays were selected the most promising candidates for further investigation.
Извор:
EFMC-ISMC, XXVI EFMC International Symposium on Medicinal Chemistry, Book of Abstracts, 2021, 360-360Издавач:
- EFMC-ISMC
Финансирање / пројекти:
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200161 (Универзитет у Београду, Фармацеутски факултет) (RS-MESTD-inst-2020-200161)
Напомена:
- XXVI EFMC International Symposium on Medicinal Chemistry (EFMC-ISMC 2021), Virtual Event, August 29-September 2, 2021
Институција/група
PharmacyTY - CONF AU - Ružić, Dušan AU - Đoković, Nemanja AU - Petković, Miloš AU - Agbaba, Danica AU - Gul, Sheraz AU - Lahtela‐Kakkonen, Maija AU - Ganesan, A. AU - Santibanez, Juan AU - Srdić-Rajić, Tatjana AU - Nikolić, Katarina PY - 2021 UR - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4889 AB - Histone deacetylases (HDACs) are epigenetic enzymes involved in regulation of histone posttranslational modifications and gene expression. Since changed function of HDACs is involved in pathogenesis of cancer 1-3, the HDAC inhibitors are extensive examined as promising anticancer agents. In our in silico study we have combined structure-based, ligand-based, and fragment-based methodologies to design selective inhibitors against cytoplasmic isoforms of HDAC, such as histone deacetylase 6 inhibitors (HDAC6) and SIRT2. The drug design study has defined several promising selective HDAC6 and SIRT2 inhibitors for further synthesis and in vitro testing. Based on the in vitro activities of the novel compounds in a panel of biochemical HDAC assays as well as various cell-based assays were selected the most promising candidates for further investigation. PB - EFMC-ISMC C3 - EFMC-ISMC, XXVI EFMC International Symposium on Medicinal Chemistry, Book of Abstracts T1 - Rational design, synthesis and in vitro testing of selective HDAC6 and SIRT2 inhibitors SP - 360 EP - 360 EP - UR - https://hdl.handle.net/21.15107/rcub_farfar_4889 ER -
@conference{ author = "Ružić, Dušan and Đoković, Nemanja and Petković, Miloš and Agbaba, Danica and Gul, Sheraz and Lahtela‐Kakkonen, Maija and Ganesan, A. and Santibanez, Juan and Srdić-Rajić, Tatjana and Nikolić, Katarina", year = "2021", abstract = "Histone deacetylases (HDACs) are epigenetic enzymes involved in regulation of histone posttranslational modifications and gene expression. Since changed function of HDACs is involved in pathogenesis of cancer 1-3, the HDAC inhibitors are extensive examined as promising anticancer agents. In our in silico study we have combined structure-based, ligand-based, and fragment-based methodologies to design selective inhibitors against cytoplasmic isoforms of HDAC, such as histone deacetylase 6 inhibitors (HDAC6) and SIRT2. The drug design study has defined several promising selective HDAC6 and SIRT2 inhibitors for further synthesis and in vitro testing. Based on the in vitro activities of the novel compounds in a panel of biochemical HDAC assays as well as various cell-based assays were selected the most promising candidates for further investigation.", publisher = "EFMC-ISMC", journal = "EFMC-ISMC, XXVI EFMC International Symposium on Medicinal Chemistry, Book of Abstracts", title = "Rational design, synthesis and in vitro testing of selective HDAC6 and SIRT2 inhibitors", pages = "360-360-", url = "https://hdl.handle.net/21.15107/rcub_farfar_4889" }
Ružić, D., Đoković, N., Petković, M., Agbaba, D., Gul, S., Lahtela‐Kakkonen, M., Ganesan, A., Santibanez, J., Srdić-Rajić, T.,& Nikolić, K.. (2021). Rational design, synthesis and in vitro testing of selective HDAC6 and SIRT2 inhibitors. in EFMC-ISMC, XXVI EFMC International Symposium on Medicinal Chemistry, Book of Abstracts EFMC-ISMC., 360-360. https://hdl.handle.net/21.15107/rcub_farfar_4889
Ružić D, Đoković N, Petković M, Agbaba D, Gul S, Lahtela‐Kakkonen M, Ganesan A, Santibanez J, Srdić-Rajić T, Nikolić K. Rational design, synthesis and in vitro testing of selective HDAC6 and SIRT2 inhibitors. in EFMC-ISMC, XXVI EFMC International Symposium on Medicinal Chemistry, Book of Abstracts. 2021;:360-360. https://hdl.handle.net/21.15107/rcub_farfar_4889 .
Ružić, Dušan, Đoković, Nemanja, Petković, Miloš, Agbaba, Danica, Gul, Sheraz, Lahtela‐Kakkonen, Maija, Ganesan, A., Santibanez, Juan, Srdić-Rajić, Tatjana, Nikolić, Katarina, "Rational design, synthesis and in vitro testing of selective HDAC6 and SIRT2 inhibitors" in EFMC-ISMC, XXVI EFMC International Symposium on Medicinal Chemistry, Book of Abstracts (2021):360-360, https://hdl.handle.net/21.15107/rcub_farfar_4889 .