TY  - GEN
AU  - Ružić, Dušan
AU  - Ellinger, Bernhard
AU  - Đoković, Nemanja
AU  - Santibanez, Juan
AU  - Ganesan, A.
AU  - Pavić, Aleksandar
AU  - Srdić Rajić, Tatjana
AU  - Petković, Miloš
AU  - Nikolić, Katarina
PY  - 2022
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4951
PB  - Institute Pasteur, France
T2  - Journal Club on Drug Design, Institute Pasteur, Paris, France November 25 2022
T1  - Identification of novel 1-benzhydryl-piperazine derivatives as Histone Deacetylase inhibitors using Fragment-based drug design strategy
UR  - https://hdl.handle.net/21.15107/rcub_farfar_4951
ER  - 

@misc{
author = "Ružić, Dušan and Ellinger, Bernhard and Đoković, Nemanja and Santibanez, Juan and Ganesan, A. and Pavić, Aleksandar and Srdić Rajić, Tatjana and Petković, Miloš and Nikolić, Katarina",
year = "2022",
publisher = "Institute Pasteur, France",
journal = "Journal Club on Drug Design, Institute Pasteur, Paris, France November 25 2022",
title = "Identification of novel 1-benzhydryl-piperazine derivatives as Histone Deacetylase inhibitors using Fragment-based drug design strategy",
url = "https://hdl.handle.net/21.15107/rcub_farfar_4951"
}

Ružić, D., Ellinger, B., Đoković, N., Santibanez, J., Ganesan, A., Pavić, A., Srdić Rajić, T., Petković, M.,& Nikolić, K.. (2022). Identification of novel 1-benzhydryl-piperazine derivatives as Histone Deacetylase inhibitors using Fragment-based drug design strategy. in Journal Club on Drug Design, Institute Pasteur, Paris, France November 25 2022
Institute Pasteur, France..
https://hdl.handle.net/21.15107/rcub_farfar_4951

Ružić D, Ellinger B, Đoković N, Santibanez J, Ganesan A, Pavić A, Srdić Rajić T, Petković M, Nikolić K. Identification of novel 1-benzhydryl-piperazine derivatives as Histone Deacetylase inhibitors using Fragment-based drug design strategy. in Journal Club on Drug Design, Institute Pasteur, Paris, France November 25 2022. 2022;.
https://hdl.handle.net/21.15107/rcub_farfar_4951 .

Ružić, Dušan, Ellinger, Bernhard, Đoković, Nemanja, Santibanez, Juan, Ganesan, A., Pavić, Aleksandar, Srdić Rajić, Tatjana, Petković, Miloš, Nikolić, Katarina, "Identification of novel 1-benzhydryl-piperazine derivatives as Histone Deacetylase inhibitors using Fragment-based drug design strategy" in Journal Club on Drug Design, Institute Pasteur, Paris, France November 25 2022 (2022),
https://hdl.handle.net/21.15107/rcub_farfar_4951 .

TY  - CONF
AU  - Ružić, Dušan
AU  - Petković, Miloš
AU  - Ellinger, Bernhard
AU  - Gul, Sheraz
AU  - Santibanez, Juan
AU  - Srdić-Rajić, Tatjana
AU  - Nikolić, Katarina
PY  - 2021
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4890
AB  - Human epigenetic metalloenzymes that modulate the acetylation status of histones, alter cancer cell morphology
and cell survival are histone deacetylases (HDACs). Of particular importance, histone deacetylase 6 is studied as
a cytoplasmic isoform implicated in the microtubule dynamics in cancer 1. Still, more efforts need to be
undertaken to make these inhibitors reach to global oncology market 2. In this study, we probed the 1-benzhydryl
piperazine as the capping (CAP) group to selectively target the HDAC6 isoform and alter the migration and
invasiveness of the breast cancer cell lines. Nine different 1-benzhydryl piperazine derivatives were synthesized
and the structure-activity relationship study was postulated with combined ligand-based (3D-QSAR) and
structure-based (molecular docking) in silico approaches 3,4. We performed wound healing, matrigel invasion
and transwell migration assays to search for the inhibitor that shows antimigratory and antiinvasive properties of
the breast cancer cell lines (MDA-MB-231 and MCF-7). Most of the synthesized compounds induce apoptosis in
excellent non-cytotoxic, antimigratory and antiinvasive profile in breast cancer cell lines, which is in agreement
with the proposed cellular roles of HDAC6 in cancer. The work presented in this study integrates in silico modelling, synthesis and in vitro biological profiling to
discover selective HDAC6 inhibitor. Identification of potent HDAC6 inhibitor that alters migration and
invasiveness of breast cancer cell lines opens up new horizons to treat metastatic diseases.
PB  - EFMC-ISMC
C3  - EFMC-ISMC, XXVI EFMC International Symposium on Medicinal Chemistry, Book of Abstracts
T1  - Synthesis, molecular modelling and biological characterization of novel antimigratory and antiinvasive 1-benzhydryl piperazine derivatives
SP  - 372
EP  - 372
UR  - https://hdl.handle.net/21.15107/rcub_farfar_4890
ER  - 

@conference{
author = "Ružić, Dušan and Petković, Miloš and Ellinger, Bernhard and Gul, Sheraz and Santibanez, Juan and Srdić-Rajić, Tatjana and Nikolić, Katarina",
year = "2021",
abstract = "Human epigenetic metalloenzymes that modulate the acetylation status of histones, alter cancer cell morphology
and cell survival are histone deacetylases (HDACs). Of particular importance, histone deacetylase 6 is studied as
a cytoplasmic isoform implicated in the microtubule dynamics in cancer 1. Still, more efforts need to be
undertaken to make these inhibitors reach to global oncology market 2. In this study, we probed the 1-benzhydryl
piperazine as the capping (CAP) group to selectively target the HDAC6 isoform and alter the migration and
invasiveness of the breast cancer cell lines. Nine different 1-benzhydryl piperazine derivatives were synthesized
and the structure-activity relationship study was postulated with combined ligand-based (3D-QSAR) and
structure-based (molecular docking) in silico approaches 3,4. We performed wound healing, matrigel invasion
and transwell migration assays to search for the inhibitor that shows antimigratory and antiinvasive properties of
the breast cancer cell lines (MDA-MB-231 and MCF-7). Most of the synthesized compounds induce apoptosis in
excellent non-cytotoxic, antimigratory and antiinvasive profile in breast cancer cell lines, which is in agreement
with the proposed cellular roles of HDAC6 in cancer. The work presented in this study integrates in silico modelling, synthesis and in vitro biological profiling to
discover selective HDAC6 inhibitor. Identification of potent HDAC6 inhibitor that alters migration and
invasiveness of breast cancer cell lines opens up new horizons to treat metastatic diseases.",
publisher = "EFMC-ISMC",
journal = "EFMC-ISMC, XXVI EFMC International Symposium on Medicinal Chemistry, Book of Abstracts",
title = "Synthesis, molecular modelling and biological characterization of novel antimigratory and antiinvasive 1-benzhydryl piperazine derivatives",
pages = "372-372",
url = "https://hdl.handle.net/21.15107/rcub_farfar_4890"
}

Ružić, D., Petković, M., Ellinger, B., Gul, S., Santibanez, J., Srdić-Rajić, T.,& Nikolić, K.. (2021). Synthesis, molecular modelling and biological characterization of novel antimigratory and antiinvasive 1-benzhydryl piperazine derivatives. in EFMC-ISMC, XXVI EFMC International Symposium on Medicinal Chemistry, Book of Abstracts
EFMC-ISMC., 372-372.
https://hdl.handle.net/21.15107/rcub_farfar_4890

Ružić D, Petković M, Ellinger B, Gul S, Santibanez J, Srdić-Rajić T, Nikolić K. Synthesis, molecular modelling and biological characterization of novel antimigratory and antiinvasive 1-benzhydryl piperazine derivatives. in EFMC-ISMC, XXVI EFMC International Symposium on Medicinal Chemistry, Book of Abstracts. 2021;:372-372.
https://hdl.handle.net/21.15107/rcub_farfar_4890 .

Ružić, Dušan, Petković, Miloš, Ellinger, Bernhard, Gul, Sheraz, Santibanez, Juan, Srdić-Rajić, Tatjana, Nikolić, Katarina, "Synthesis, molecular modelling and biological characterization of novel antimigratory and antiinvasive 1-benzhydryl piperazine derivatives" in EFMC-ISMC, XXVI EFMC International Symposium on Medicinal Chemistry, Book of Abstracts (2021):372-372,
https://hdl.handle.net/21.15107/rcub_farfar_4890 .