The treatment of chronic myeloid leukemia (CML) was revolutionized by
introducing Bcr-Abl1 inhibitors to the extent that today it could be considered
as manageable chronic disease. Although, ATP-competitive Bcr-Abl1
inhibitors set the milestone for treatment of CML, resistance on therapy in
significant number of patients still remains major challenge.
3D quantitative structure-activity relationship (3D-QSAR) model of
selected Bcr-Abl1 inhibitors was built in order to gain insight into structural
requirements for inhibitory activity. The 3D-QSAR model with best
validation parameters was selected for further study and design of novel
inhibitors.
Source:
Physical Chemistry 2018 (Proceedings) 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry, 2018, I, 105-108
TY - CONF
AU - Đoković, Nemanja
AU - Rajković, A
AU - Nikolić, Katarina
PY - 2018
UR - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4853
AB - The treatment of chronic myeloid leukemia (CML) was revolutionized by
introducing Bcr-Abl1 inhibitors to the extent that today it could be considered
as manageable chronic disease. Although, ATP-competitive Bcr-Abl1
inhibitors set the milestone for treatment of CML, resistance on therapy in
significant number of patients still remains major challenge.
3D quantitative structure-activity relationship (3D-QSAR) model of
selected Bcr-Abl1 inhibitors was built in order to gain insight into structural
requirements for inhibitory activity. The 3D-QSAR model with best
validation parameters was selected for further study and design of novel
inhibitors.
PB - Society of Physical Chemists of Serbia
C3 - Physical Chemistry 2018 (Proceedings) 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry
T1 - 3D-QSAR study of pyrazolo[3,4-d]pyrimidines and 1,3,4-thiadiazoles as BCR-ABL1 inhibitors
VL - I
SP - 105
EP - 108
UR - https://hdl.handle.net/21.15107/rcub_farfar_4853
ER -
@conference{
author = "Đoković, Nemanja and Rajković, A and Nikolić, Katarina",
year = "2018",
abstract = "The treatment of chronic myeloid leukemia (CML) was revolutionized by
introducing Bcr-Abl1 inhibitors to the extent that today it could be considered
as manageable chronic disease. Although, ATP-competitive Bcr-Abl1
inhibitors set the milestone for treatment of CML, resistance on therapy in
significant number of patients still remains major challenge.
3D quantitative structure-activity relationship (3D-QSAR) model of
selected Bcr-Abl1 inhibitors was built in order to gain insight into structural
requirements for inhibitory activity. The 3D-QSAR model with best
validation parameters was selected for further study and design of novel
inhibitors.",
publisher = "Society of Physical Chemists of Serbia",
journal = "Physical Chemistry 2018 (Proceedings) 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry",
title = "3D-QSAR study of pyrazolo[3,4-d]pyrimidines and 1,3,4-thiadiazoles as BCR-ABL1 inhibitors",
volume = "I",
pages = "105-108",
url = "https://hdl.handle.net/21.15107/rcub_farfar_4853"
}
Đoković, N., Rajković, A.,& Nikolić, K.. (2018). 3D-QSAR study of pyrazolo[3,4-d]pyrimidines and 1,3,4-thiadiazoles as BCR-ABL1 inhibitors. in Physical Chemistry 2018 (Proceedings) 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry
Society of Physical Chemists of Serbia., I, 105-108.
https://hdl.handle.net/21.15107/rcub_farfar_4853
Đoković N, Rajković A, Nikolić K. 3D-QSAR study of pyrazolo[3,4-d]pyrimidines and 1,3,4-thiadiazoles as BCR-ABL1 inhibitors. in Physical Chemistry 2018 (Proceedings) 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry. 2018;I:105-108.
https://hdl.handle.net/21.15107/rcub_farfar_4853 .
Đoković, Nemanja, Rajković, A, Nikolić, Katarina, "3D-QSAR study of pyrazolo[3,4-d]pyrimidines and 1,3,4-thiadiazoles as BCR-ABL1 inhibitors" in Physical Chemistry 2018 (Proceedings) 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry, I (2018):105-108,
https://hdl.handle.net/21.15107/rcub_farfar_4853 .
