Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Christian Buning"'
Publikováno v:
Journal of Chemical Information and Modeling. 60:6120-6134
Mining the steadily increasing amount of chemical and biological data is a key challenge in drug discovery. Graph databases offer viable alternatives for capturing interrelationships between molecules and for generating novel insights for design. In
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9baa09c90daecabcc2cb99201ce286d6
https://doi.org/10.1021/acs.jcim.0c00947
https://doi.org/10.1021/acs.jcim.0c00947
Autor:
Thorsten Sadowski, Dominik Linz, Wolfgang Linz, Georg Horstick, Herman Schreuder, Sven Ruf, Hartmut Rütten, Christian Buning, Markus Kohlmann, Klaus Wirth, Katja Kroll
Publikováno v:
Methods and Principles in Medicinal Chemistry. :687-716
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fc9afa5bc64fb6def03d241b942c36b2
https://doi.org/10.1002/9783527677047.ch23
https://doi.org/10.1002/9783527677047.ch23
Publikováno v:
Journal of Medicinal Chemistry. 59:3579-3592
In this Perspective, recent advances and challenges in the development of GPR119 agonists as new oral antidiabetic drugs will be discussed. Such agonists are expected to exhibit a low risk to induce hypoglycemia as well as to have a beneficial impact
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::684667b796a03b2f75d9d8ba8cb47dd4
https://doi.org/10.1021/acs.jmedchem.5b01198
https://doi.org/10.1021/acs.jmedchem.5b01198
Autor:
Sven Ruf, Britta Böhnisch, Katja Kroll, Christian Buning, Alexander Liesum, Herman Schreuder, Thorsten Sadowski
Publikováno v:
Biochemical and Biophysical Research Communications. 445:451-456
The lysosomal serine carboxypeptidase cathepsin A is involved in the breakdown of peptide hormones like endothelin and bradykinin. Recent pharmacological studies with cathepsin A inhibitors in rodents showed a remarkable reduction in cardiac hypertro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ded4d232a133ff994fb823478089514e
https://doi.org/10.1016/j.bbrc.2014.02.014
https://doi.org/10.1016/j.bbrc.2014.02.014
Publikováno v:
ACS Medicinal Chemistry Letters. 5:193-198
Starting from clinical candidates Firategrast, Valategrast, and AJM-300, a series of novel macrocyclic platelet collagen receptor α2β1 antagonists were developed. The amino acid derived low molecular weight 14-18-membered macrocycles turned out to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2095326b3f6d98b41caf625012eaddfd
https://doi.org/10.1021/ml4004556
https://doi.org/10.1021/ml4004556
Publikováno v:
Journal of Computer-Aided Molecular Design. 16:129-149
FLEXX-PHARM, an extended version of the flexible docking tool FLEXX, allows the incorporation of information about important characteristics of protein-ligand binding modes into a docking calculation. This information is introduced as a simple set of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0525d7cf87322c897d0d36cfb517d24c
https://doi.org/10.1023/a:1016399411208
https://doi.org/10.1023/a:1016399411208
Autor:
Christian Buning, Peter Comba
Publikováno v:
European Journal of Inorganic Chemistry. 2000:1267-1273
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b6ec4bae9c79881fbbd293df95b6bc8f
https://doi.org/10.1002/(sici)1099-0682(200006)2000:6<1267::aid-ejic1267>3.3.co
https://doi.org/10.1002/(sici)1099-0682(200006)2000:6<1267::aid-ejic1267>3.3.co
Publikováno v:
Scopus-Elsevier
A new molecular mechanics force field has been developed that takes into account the fact that, upon coordination to a transition metal ion, the redistribution of electron density leads to small but significant structural changes in the organic backb
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::766f6547afd7d5c79d7b655ca4122cc7
https://doi.org/10.1002/(sici)1096-987x(19980415)19:5<512::aid-jcc4>3.0.co
https://doi.org/10.1002/(sici)1096-987x(19980415)19:5<512::aid-jcc4>3.0.co
Autor:
Sven Ruf, Hartmut Ruetten, Dominik Linz, Thorsten Sadowski, Herman Schreuder, Thomas Hübschle, Christian Buning, Klaus Wirth, Wolfgang Linz
Publikováno v:
Future medicinal chemistry. 5(4)
The lysosomal serine carboxypeptidase CatA has a very important and well-known structural function as well as a, so far, less explored catalytic function. A complete loss of the CatA protein results in the lysosomal storage disease galactosialidosis
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1cd165dd74c4ec17749a1fef4e18987d
https://pubmed.ncbi.nlm.nih.gov/23495688
https://pubmed.ncbi.nlm.nih.gov/23495688
Autor:
Georg Horstick, Dominik Linz, Markus Kohlmann, Thomas Olpp, Aimo Kannt, Josef Pernerstorfer, Sven Ruf, Thorsten Schmidt, Katja Kroll, Thomas Hübschle, Thorsten Sadowski, Christian Buning, Herman Schreuder, Wolfgang Linz, Klaus Wirth, Hartmut Rütten, Katrin Hiss
Publikováno v:
Journal of medicinal chemistry. 55(17)
Cathepsin A (CatA) is a serine carboxypeptidase distributed between lysosomes, cell membrane, and extracellular space. Several peptide hormones including bradykinin and angiotensin I have been described as substrates. Therefore, the inhibition of Cat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fd557a8866d539e6d0e3d072d38ebb88
https://pubmed.ncbi.nlm.nih.gov/22861813
https://pubmed.ncbi.nlm.nih.gov/22861813