Zobrazeno 1 - 10
of 26
pro vyhledávání: '"Marek K. Bernard"'
Autor:
Kornelia Czaja, Jacek Kujawski, Urlich Girreser, Jarosław J. Panek, Marek Doskocz, Marek K. Bernard
Publikováno v:
ARKIVOC, Vol 2016, Iss 4, Pp 22-43 (2016)
Externí odkaz:
https://doaj.org/article/716d83766eed414a9a072378a0a45691
Autor:
Kornelia Czaja, Jacek Kujawski, Elżbieta Jodłowska-Siewert, Paulina Szulc, Tomasz Ratajczak, Dominika Krygier, Marcin K. Chmielewski, Marek K. Bernard
Publikováno v:
Journal of Chemistry, Vol 2017 (2017)
Due to the increasing prevalence of neoplasms, there is a permanent need for new selective cytostatic compounds. Anticancer drugs can act in different ways, affecting protein expression and synthesis, including disruption of signaling pathways within
Externí odkaz:
https://doaj.org/article/9fa23e14f9224aee9881d158348238b6
Publikováno v:
ARKIVOC, Vol 2012, Iss 8, Pp 169-186 (2012)
Externí odkaz:
https://doaj.org/article/e7f2d78ac7cb4fec9ab7da8f1a282183
Publikováno v:
Open Chemistry, Vol 18, Iss 1, Pp 857-873 (2020)
Using the density functional theory (DFT) formalism, we have investigated the properties of some arylsulphonyl indazole derivatives that we studied previously for their biological activity and susceptibility to interactions of azoles. This study incl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::782ee61051d743583a3d5237d7c3f101
https://doaj.org/article/7e14ba0e02784e07aa11e2d8cf4fed18
https://doaj.org/article/7e14ba0e02784e07aa11e2d8cf4fed18
Publikováno v:
Journal of Molecular Modeling
Protein kinases control diversity of biochemical processes in human organism. Checkpoint 1 kinase (Chk1) is an important element of the checkpoint signalling pathways and is responsible for DNA damage repair. Hence, this kinase plays an essential rol
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::645da04c8f027d07716e3d74a0ea1379
https://pubmed.ncbi.nlm.nih.gov/32424505
https://pubmed.ncbi.nlm.nih.gov/32424505
Autor:
Tomasz Ratajczak, Elżbieta Jodłowska-Siewert, Katarzyna Dettlaff, Marek K. Bernard, Kornelia Czaja, Jacek Kujawski, Justyna Żwawiak, Radosław Kujawski
Publikováno v:
Journal of Molecular Structure. 1146:259-266
The paper compares the experimental FT-IR and UV–Vis spectra of itraconazole and ketoconazole with the DFT calculations using four different functionals. The highest conformity of the geometry of the optimized rotamer of itraconazole with the exper
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::47edad568898e468c28497e062514567
https://doi.org/10.1016/j.molstruc.2017.05.128
https://doi.org/10.1016/j.molstruc.2017.05.128
Autor:
Kornelia Czaja, Elżbieta Jodłowska, Marek K. Bernard, Jacek Kujawski, Katarzyna Dettlaff, Tomasz Ratajczak, Justyna Żwawiak, Marta Politańska, Radosław Kujawski, Marcin K. Chmielewski
Publikováno v:
Journal of Molecular Structure. 1119:250-258
The paper draws a comparison between the experimental FT-IR, UV–Vis, and 1 H NMR spectra of econazole and sulconazole nitrate and the DFT calculations with the use of four different functionals. The highest compatibility of the theoretical IR and U
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a234c02fa12078aa5a66d1a470e79871
https://doi.org/10.1016/j.molstruc.2016.04.065
https://doi.org/10.1016/j.molstruc.2016.04.065
Autor:
Jarosław J. Panek, Jacek Kujawski, Kornelia Czaja, Urlich Girreser, Marek Doskocz, Marek K. Bernard
Publikováno v:
ARKIVOC, Vol 2016, Iss 4, Pp 22-43 (2016)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b00dc8c4aae9a2ff339ff70ad121ef9c
https://www.arkat-usa.org/arkivoc-journal/browse-arkivoc/ark.5550190.p009.427
https://www.arkat-usa.org/arkivoc-journal/browse-arkivoc/ark.5550190.p009.427
Autor:
Jolanta Brzezinska, Jacek Kujawski, Agnieszka Witkowska, Kornelia Czaja, Marek K Bernard, Marcin K Chmielewski
Publikováno v:
PLoS ONE, Vol 13, Iss 9, p e0203604 (2018)
PLoS ONE
PLoS ONE
1D and 2D NMR investigations as well as computational studies, including static quantum-mechanics calculations, density function theory formalism, and classical molecular dynamics, were applied to determine the protonation sites in the thermolabile p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d9469177d5c343ba2a0992ea42374268
http://europepmc.org/articles/PMC6147472?pdf=render
http://europepmc.org/articles/PMC6147472?pdf=render
Autor:
Marek Doskocz, Kornelia Czaja, Jacek Kujawski, Beata Drabińska, Anna Myka, Marek K. Bernard, Joanna Kruk
Publikováno v:
Computational and Theoretical Chemistry. 1059:45-50
In order to verify the previously suggested mechanism of anticancer activity of some dimeric indazole derivatives basing on the adhesion (or intercalation) to DNA, a simulation of the interactions of 5-(3,5-dimethyl-1 H -pyrazol-1-yl)-3-[(4-methylphe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::de5bb1515dcc4e04bf0320339e677f26
https://doi.org/10.1016/j.comptc.2015.02.013
https://doi.org/10.1016/j.comptc.2015.02.013