Search results
- 1.0544833 - ÚMG 2022 RIV FR eng J - Journal Article
Jansa, J. - Jorda, R. - Škerlová, J. - Pachl, P. - Peřina, M. - Řezníčková, E. - Heger, T. - Gucký, T. - Řezáčová, Pavlína - Lyčka, A. - Kryštof, V.
Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure.
European Journal of Medicinal Chemistry. Roč. 216, April (2021), č. článku 113309. ISSN 0223-5234. E-ISSN 1768-3254
Institutional support: RVO:68378050
Keywords : Kinase inhibitor * Cyclin-dependent kinase 2 * imidazo[1,2-c]pyrimidin-5(6H)-one * X-ray crystallography * Co-crystal * Activity assay * itc
OECD category: Biochemistry and molecular biology
Impact factor: 7.088, year: 2021
Method of publishing: Limited access
https://www-sciencedirect-com.d360prx.biomed.cas.cz/science/article/pii/S0223523421001586?via%3Dihub
Permanent Link: http://hdl.handle.net/11104/0321645 - 2.0541414 - ÚOCHB 2022 RIV FR eng J - Journal Article
Jansa, J. - Jorda, R. - Škerlová, Jana - Pachl, Petr - Peřina, M. - Řezníčková, E. - Heger, T. - Gucký, T. - Řezáčová, Pavlína - Lyčka, A. - Kryštof, V.
Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure.
European Journal of Medicinal Chemistry. Roč. 216, Apr 15 (2021), č. článku 113309. ISSN 0223-5234. E-ISSN 1768-3254
R&D Projects: GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963
Keywords : activity assay * Co-crystal * cyclin-dependent kinase 2 * imidazo[1,2-c]pyrimidin-5(6H)-one * ITC * kinase inhibitor * X-ray crystallography
OECD category: Biochemistry and molecular biology
Impact factor: 7.088, year: 2021
Method of publishing: Limited access
https://doi.org/10.1016/j.ejmech.2021.113309
Permanent Link: http://hdl.handle.net/11104/0318978 - 3.0523373 - ÚOCHB 2021 RIV GB eng J - Journal Article
Köprülüoglu, Cemal - Dejmek, Milan - Šála, Michal - Ajani, Haresh - Hřebabecký, Hubert - Fanfrlík, Jindřich - Jorda, Radek - Dračínský, Martin - Procházková, Eliška - Šácha, Pavel - Kryštof, Vladimír - Hobza, Pavel - Lepšík, Martin - Nencka, Radim
Optimization of norbornyl-based carbocyclic nucleoside analogs as cyclin-dependent kinase 2 inhibitors.
Journal of Molecular Recognition. Roč. 33, č. 8 (2020), č. článku e2842. ISSN 0952-3499. E-ISSN 1099-1352
R&D Projects: GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963 ; RVO:61389030
Keywords : ATP-competitive type I inhibitors * cyclin-dependent kinase 2 * protein-ligand binding * quantum mechanical scoring
OECD category: Physical chemistry
Impact factor: 2.137, year: 2020
Method of publishing: Limited access
https://onlinelibrary.wiley.com/doi/abs/10.1002/jmr.2842
Permanent Link: http://hdl.handle.net/11104/0307732 - 4.0493391 - ÚOCHB 2019 RIV GB eng J - Journal Article
Vekariya, M. K. - Vekariya, R. H. - Brahmkshatriya, Pathik - Shah, N. K.
Pyrimidine-based pyrazoles as cyclin-dependent kinase 2 inhibitors: Design, synthesis, and biological evaluation.
Chemical Biology & Drug Design. Roč. 92, č. 3 (2018), s. 1683-1691. ISSN 1747-0277. E-ISSN 1747-0285
Institutional support: RVO:61388963
Keywords : cyclin-dependent kinase 2 * docking * pyrazole * structure-based design
OECD category: Physical chemistry
Impact factor: 2.256, year: 2018
Permanent Link: http://hdl.handle.net/11104/0286748 - 5.0492257 - ÚEB 2019 RIV US eng J - Journal Article
Cherukupalli, S. - Chandrasekaran, B. - Kryštof, Vladimír - Aleti, R.R. - Sayyad, N. - Merugu, S.R. - Kushwaha, N.D. - Karpoormath, R.
Synthesis, anticancer evaluation, and molecular docking studies of some novel 4,6-disubstituted pyrazolo[3,4-d]pyrimidines as cyclin-dependent kinase 2 (CDK2) inhibitors.
Bioorganic Chemistry. Roč. 79, SEP (2018), s. 46-59. ISSN 0045-2068. E-ISSN 1090-2120
R&D Projects: GA MŠMT(CZ) LO1204; GA ČR GA17-14007S
Institutional support: RVO:61389030
Keywords : cancer-therapy * cell-cycle * cyclin-dependent-kinase-2 * roscovitine * lethality * scaffold * targets * mice * Pyrazolo[3,4-d]pyrimidine * Cyclin dependent kinase inhibitor * Anti-proliferative activity * Molecular docking * glide
OECD category: Oncology
Impact factor: 3.926, year: 2018
Permanent Link: http://hdl.handle.net/11104/0285792File Download Size Commentary Version Access 2018_Cherukupalli_BIOORGANIC CHEMISTRY_46.pdf 2 1.1 MB Other open-access - 6.0475922 - ÚOCHB 2018 RIV FR eng J - Journal Article
Hylsová, M. - Carbain, B. - Fanfrlík, Jindřich - Musilová, L. - Haldar, Susanta - Köprülüoglu, Cemal - Ajani, Haresh - Brahmkshatriya, Pathik - Jorda, Radek - Kryštof, Vladimír - Hobza, Pavel - Echalier, A. - Paruch, K. - Lepšík, Martin
Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines.
European Journal of Medicinal Chemistry. Roč. 126, Jan 27 (2017), s. 1118-1128. ISSN 0223-5234. E-ISSN 1768-3254
R&D Projects: GA ČR(CZ) GA15-15264S; GA ČR(CZ) GBP208/12/G016
Institutional support: RVO:61388963 ; RVO:61389030
Keywords : cyclin-dependent kinase 2 * ATP-competitive type I inhibitors * pyrazolo[1,5-a]pyrimidine * quantum mechanical scoring * protein-ligand binding * molecular dynamics
OECD category: Organic chemistry
Impact factor: 4.816, year: 2017
Permanent Link: http://hdl.handle.net/11104/0272505File Download Size Commentary Version Access 2017_Hylsova_EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY_1118.pdf 1 1.7 MB Other open-access - 7.0467239 - ÚEB 2017 RIV US eng J - Journal Article
Bazgier, Václav - Berka, K. - Otyepka, M. - Banáš, P.
Exponential Repulsion Improves Structural Predictability of Molecular Docking.
Journal of Computational Chemistry. Roč. 37, č. 28 (2016), s. 2485-2494. ISSN 0192-8651. E-ISSN 1096-987X
Institutional support: RVO:61389030
Keywords : cyclin-dependent kinases * structure-based design * scoring functions * cdk2 inhibitors * force-field * ligand interactions * drug discovery * purine * potent * protein-kinase-2 * molecular docking * dock 6.6 * drug design * cyclin-dependent kinase 2 * directory of decoys
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.229, year: 2016
Permanent Link: http://hdl.handle.net/11104/0265352File Download Size Commentary Version Access 2016_Bazgier_JOURNAL OF COMPUTATIONAL CHEMISTRY_2485.pdf 0 445.8 KB Other open-access - 8.0459008 - ÚEB 2017 RIV FR eng J - Journal Article
Baltus, C.B. - Jorda, Radek - Marot, Ch. - Berka, K. - Bazgier, Václav - Kryštof, Vladimír - Prie, G. - Viaud-Massuard, M.C.
Synthesis, biological evaluation and molecular modeling of a novel series of 7-azaindole based tri-heterocyclic compounds as potent CDK2/Cyclin E inhibitors.
European Journal of Medicinal Chemistry. Roč. 108, JAN 27 (2016), s. 701-719. ISSN 0223-5234. E-ISSN 1768-3254
R&D Projects: GA MŠMT(CZ) LO1204
Institutional support: RVO:61389030
Keywords : Cyclin-dependent kinase 2 * Kinase inhibitors * Anti-tumor agent
Subject RIV: EB - Genetics ; Molecular Biology
Impact factor: 4.519, year: 2016
Permanent Link: http://hdl.handle.net/11104/0259205File Download Size Commentary Version Access 2016_Baltus_EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY_701.pdf 2 1.9 MB Other open-access - 9.0394206 - ÚOCHB 2014 RIV NL eng J - Journal Article
Brahmkshatriya, Pathik - Dobeš, P. - Fanfrlík, Jindřich - Řezáč, Jan - Paruch, K. - Bronowska, A. - Lepšík, Martin - Hobza, Pavel
Quantum Mechanical Scoring: Structural and Energetic Insights into Cyclin-Dependent Kinase 2 Inhibition by Pyrazolo[1,5-a]pyrimidines.
Current Computer-Aided Drug Design. Roč. 9, č. 1 (2013), s. 118-129. ISSN 1573-4099. E-ISSN 1875-6697
R&D Projects: GA ČR GBP208/12/G016
Grant - others:Operational Program Research and Development for Innovations(XE) CZ.1.05/2.1.00/03.0058
Institutional support: RVO:61388963
Keywords : binding affinity * cyclin-dependent kinase 2 * QM/SQM/MM * PM6 * pyrazolo[1,5-a]pyrimidine * semiempirical quantum mechanics * scoring function
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.942, year: 2013
Permanent Link: http://hdl.handle.net/11104/0222539 - 10.0380593 - ÚOCHB 2013 CZ eng A - Abstract
Brahmkshatriya, Pathik - Fanfrlík, Jindřich - Řezáč, Jan - Dobeš, P. - Přenosil, Ondřej - Paruch, K. - Lepšík, Martin - Hobza, Pavel
Advanced protein-ligand scoring: successful prediction of cyclin-dependent kinase inhibition.
Biomedical Papers. Univerzita Palackého v Olomouci. Roč. 156, Suppl. 1 (2012), S76-S76. ISSN 1213-8118. E-ISSN 1804-7521.
[International Congress Natural Anticancer Drugs. 30.06.2012-04.07.2012, Olomouc]
R&D Projects: GA ČR GBP208/12/G016
Institutional support: RVO:61388963
Keywords : semiempirical quantum mechanics * cyclin-dependent kinase 2
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0211259