Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Franca Maria Klingler"'
Autor:
Paul Beroza, James J. Crawford, Oleg Ganichkin, Leo Gendelev, Seth F. Harris, Raphael Klein, Anh Miu, Stefan Steinbacher, Franca-Maria Klingler, Christian Lemmen
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-10 (2022)
Virtual screening of huge libraries is successful in identifying drug leads. Here, the authors describe a computational strategy, Chemical Space Docking, which combines docking with a reaction-based search of compounds, thereby enabling the explorati
Externí odkaz:
https://doaj.org/article/92730f41f1224e6e9e787ec4095a9009
Autor:
Eleonora Diamanti, María Méndez, Tatjana Ross, Christian A. Kuttruff, Julien Lefranc, Franca‐Maria Klingler, Franz von Nussbaum, Manfred Jung, Matthias Gehringer
Publikováno v:
ChemMedChem. 17
The Frontiers in Medicinal Chemistry (FiMC) meeting, which represents the largest international medicinal chemistry conference in Germany, took place from March 14supth/supto 16supth/sup2022 in a fully virtual format. Organized by the Division of Med
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::97820a95bbbafb3ee93891b3d7904bd0
https://doi.org/10.1002/cmdc.202200419
https://doi.org/10.1002/cmdc.202200419
Autor:
Franca-Maria Klingler, Marcus Gastreich, Oleksandr O. Grygorenko, Olena Savych, Petro Borysko, Anastasia Griniukova, Kateryna E. Gubina, Christian Lemmen, Yurii S. Moroz
Publikováno v:
Molecules, Vol 24, Iss 17, p 3096 (2019)
We introduce SAR by Space, a concept to drastically accelerate structure-activity relationship (SAR) elucidation by synthesizing neighboring compounds that originate from vast chemical spaces. The space navigation is accomplished within minutes on af
Externí odkaz:
https://doaj.org/article/f9fd1d3cde3e4c9ca8fe4a49155cb0cc
Autor:
Paul Beroza, James J. Crawford, Oleg Ganichkin, Leo Gendelev, Seth F. Harris, Raphael Klein, Anh Miu, Stefan Steinbacher, Franca-Maria Klingler, Christian Lemmen
Publikováno v:
Nature communications. 13(1)
With the ever-increasing number of synthesis-on-demand compounds for drug lead discovery, there is a great need for efficient search technologies. We present the successful application of a virtual screening method that combines two advances: (1) it
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6a55df6e0167183b5eeba50041616d38
https://pubmed.ncbi.nlm.nih.gov/36307407
https://pubmed.ncbi.nlm.nih.gov/36307407
Autor:
Daniel Kohnhäuser, Markus Hartmann, Denia Frank, Sandra K. Wittmann, Dominik Büttner, Thomas A. Wichelhaus, Jan S. Kramer, Denys Pogoryelov, Christian Kurz, Lilia Weizel, Franca Maria Klingler, Astrid Brüggerhoff, Dieter Steinhilber, Ewgenij Proschak
Publikováno v:
ACS Infectious Diseases. 4:360-372
Pathogens, expressing metallo-β-lactamases (MBLs), become resistant against most β-lactam antibiotics. Besides the dragging search for new antibiotics, development of MBL inhibitors would be an alternative weapon against resistant bacterial pathoge
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b9de5e8d4b7097a7a3ca2b01004426c5
https://doi.org/10.1021/acsinfecdis.7b00129
https://doi.org/10.1021/acsinfecdis.7b00129
Autor:
Nir Kfir, Dana Mamriev, Dalit Barkan, David W. Sheppard, Sarit Larisch, Juliana Kagan, Ruqaia Abbas, Alastair Donald, Franca-Maria Klingler, Keren Weidenfeld
Publikováno v:
Cell Death & Disease
Cell Death and Disease, Vol 11, Iss 6, Pp 1-16 (2020)
Cell Death and Disease, Vol 11, Iss 6, Pp 1-16 (2020)
Many human cancers over-express B cell lymphoma 2 (Bcl-2) or X-linked inhibitor of apoptosis (IAP) proteins to evade cell death. The pro-apoptotic ARTS (Sept4_i2) protein binds directly to both Bcl-2 and XIAP and promotes apoptosis by stimulating the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f99f8b76cd4c36f9222a518bfa3c7c5b
https://pubmed.ncbi.nlm.nih.gov/32587235
https://pubmed.ncbi.nlm.nih.gov/32587235
Publikováno v:
SLAS Discovery. 21:689-694
Soluble epoxide hydrolase (sEH) is a bifunctional enzyme that possesses an epoxide hydrolase and lipid phosphatase activity (sEH-P) at two distinct catalytic domains. While the physiological role of the epoxide hydrolase domain is well understood, th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c917d45ebd40236276df025e71e37809
https://doi.org/10.1177/1087057116637609
https://doi.org/10.1177/1087057116637609
Autor:
Jan S. Kramer, Ewgenij Proschak, Stefan Knapp, Stefano Woltersdorf, Franca Maria Klingler, Daniel Merk, Apirat Chaikuad, Denys Pogoryelov, G. Enrico Rovati, Jan Heering, Kerstin Hiesinger, Dieter Steinhilber, Sandra K. Wittmann
Publikováno v:
The FASEB Journal. 32
The soluble epoxide Hydrolase (sEH) is an emerging pharmacological target. The enzyme is an antiparallel homodimer, where each of the two subunits is composed of a C-terminal hydrolase domain conne...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3484a28c95553ba56061477eab5e64ae
https://doi.org/10.1096/fasebj.2018.32.1_supplement.558.3
https://doi.org/10.1096/fasebj.2018.32.1_supplement.558.3
Autor:
Müller Hf, Stephan Göttig, Ewgenij Proschak, Cuesta-Bernal J, Denia Frank, Arno Koenigs, Klaas M. Pos, Franca-Maria Klingler, Hanno Sjuts, Jasmin El-Delik, Thomas A. Wichelhaus, Denys Pogoryelov
Publikováno v:
Journal of Medicinal Chemistry. 58:3626-3630
Resistance to β-lactam antibiotics can be mediated by metallo-β-lactamase enzymes (MBLs). An MBL inhibitor could restore the effectiveness of β-lactams. We report on the evaluation of approved thiol-containing drugs as inhibitors of NDM-1, VIM-1,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c1e1cd8f6aff3d6af7b0a63cc54e772d
https://doi.org/10.1021/jm501844d
https://doi.org/10.1021/jm501844d
Autor:
Yurii S. Moroz, Olena Savych, Anastasia Griniukova, Oleksandr O. Grygorenko, Marcus Gastreich, Kateryna E. Gubina, Franca-Maria Klingler, Christian Lemmen, Petro Borysko
Publikováno v:
Molecules, Vol 24, Iss 17, p 3096 (2019)
Molecules
Volume 24
Issue 17
Molecules
Volume 24
Issue 17
We introduce SAR-by-Space, a concept to drastically accelerate structure-activity relationship (SAR) elucidation by synthesizing neighboring compounds that originate from vast chemical spaces. The space navigation is accomplished within minutes on af
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0ffc29f0a9a4301c7ec5389d86191162
https://doi.org/10.3390/molecules24173096
https://doi.org/10.3390/molecules24173096