Zobrazeno 1 - 10
of 15
pro vyhledávání: '"Denis, Schmidt"'
Autor:
Denis Schmidt, Magdalena M. Scharf, Dominique Sydow, Eva Aßmann, Maria Martí-Solano, Marina Keul, Andrea Volkamer, Peter Kolb
Publikováno v:
Molecules, Vol 26, Iss 3, p 629 (2021)
While selective inhibition is one of the key assets for a small molecule drug, many diseases can only be tackled by simultaneous inhibition of several proteins. An example where achieving selectivity is especially challenging are ligands targeting hu
Externí odkaz:
https://doaj.org/article/d2652a2e3f1d43d7a0efcd15d44e5afe
Autor:
Andreas Heine, Gerhard Klebe, B. Wienen-Schmidt, Holger Gohlke, Denis Schmidt, Hans-Dieter Gerber
Publikováno v:
ACS Chemical Biology. 14:2585-2594
Drug optimization is guided by biophysical methods with increasing popularity. In the context of lead structure modifications, the introduction of methyl groups is a simple but potentially powerful approach. Hence, it is crucial to systematically inv
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::401e234ec7f180e804cc0499fc120264
https://doi.org/10.1021/acschembio.9b00476
https://doi.org/10.1021/acschembio.9b00476
Publikováno v:
ACS Medicinal Chemistry Letters. 8:481-485
The β2-adrenergic receptor (β2AR) is a G protein-coupled receptor (GPCR) and a well-explored target. Here, we report the discovery of 13 ligands, ten of which are novel, of this particular GPCR. They have been identified by similarity- and substruc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ffd39dd1db5605bfcb05ec93c0b092ee
https://doi.org/10.1021/acsmedchemlett.6b00363
https://doi.org/10.1021/acsmedchemlett.6b00363
Publikováno v:
Journal of chemical information and modeling 59(1), 509–521 (2019). doi:10.1021/acs.jcim.8b00582
We present DrugScore2018, a new version of the knowledge-based scoring functionDrugScore, which builds upon the same formalism used to derive DrugScore, but exploits atraining data set of nearly 40,000 X-ray complex structures, a highly diverse and t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::69400a0e61a3f5eee3384b19bf4cae82
https://juser.fz-juelich.de/record/858302
https://juser.fz-juelich.de/record/858302
Publikováno v:
Journal of chemical theory and computation 15(5), 3331–3343 (2019). doi:10.1021/acs.jctc.8b01295
Modulating protein activity with small molecules binding to cryptic pockets offers great opportunities to overcome hurdles in drug design. Cryptic sites are atypical binding sites in proteins that are closed in the absence of a stabilizing ligand and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::33970944e93124d36ae99a9e89b5c94f
https://hdl.handle.net/2128/22180
https://hdl.handle.net/2128/22180
Publikováno v:
Drug Discovery Today. 21:625-631
Current advances in structural biology for membrane proteins support the existence of multiple Gprotein-coupled receptor (GPCR) conformations. These conformations can be associated to particular receptor states with definite coupling and signaling ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8aab2d1aecfa0e2c897fbb09b297b8a4
https://doi.org/10.1016/j.drudis.2016.01.009
https://doi.org/10.1016/j.drudis.2016.01.009
Autor:
D. Timoteo, Ewerton Dilelis Ferreira, Orlando Fernández Aquino, T. Silva, G. Espínola, Josué Denis Schmidt, Daniel Brandão, E. V. da Silva, I. Pedreira, D. Oshiro
Publikováno v:
Revista Científica Estudios e Investigaciones. 8:95
El Streptococcus agalactiae (SGB) es el principal agente etiológico de infecciones neonatales severas y de muerte materna en todo el mundo. Esta bacteria forma parte de la microbiota normal del tracto gastrointestinal, puede trasladarse a la vagina
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::34b8c22092e9ab6e3b9b4002d3050071
https://doi.org/10.26885/rcei.foro.2019.95
https://doi.org/10.26885/rcei.foro.2019.95
Publikováno v:
Journal of chemical information and modeling. 59(1)
We present DrugScore
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::2068a6f47542198445f2afe46a57fd0f
https://pubmed.ncbi.nlm.nih.gov/30513206
https://pubmed.ncbi.nlm.nih.gov/30513206
Identifying Modulators of CXC Receptors 3 and 4 with Tailored Selectivity Using Multi-Target Docking
Publikováno v:
ACS Chemical Biology. 10:715-724
The G protein-coupled receptors of the C-X-C subfamily form a group among the chemokine receptors whose endogenous ligands are peptides with a common Cys-X-Cys motif. The CXC chemokine receptors 3 and 4 (CXCR3, CXCR4), which are investigated in this
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ce54538861cc367450ccd039a11c925f
https://doi.org/10.1021/cb500577j
https://doi.org/10.1021/cb500577j
Autor:
Denis Schmidt, Peter Kolb
Publikováno v:
DMW - Deutsche Medizinische Wochenschrift. 138:2260-2264
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::85c7759a679ce05cb30be663383b1dbe
https://doi.org/10.1055/s-0033-1349483
https://doi.org/10.1055/s-0033-1349483