Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Wolfgang H. B. Sauer"'
Autor:
Matthias Wirth, Olivier Michielin, Friedrich Rippmann, Wolfgang H. B. Sauer, Matthias Rarey, Vincent Zoete, Andrea Volkamer
Publikováno v:
Journal of Computer-aided Molecular Design, vol. 27, no. 6, pp. 511-524
Understanding molecular recognition is one major requirement for drug discovery and design. Physicochemical and shape complementarity between two binding partners is the driving force during complex formation. In this study, the impact of shape withi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ac75acef7c3100766b7972c702f05852
http://doc.rero.ch/record/321238/files/10822_2013_Article_9659.pdf
http://doc.rero.ch/record/321238/files/10822_2013_Article_9659.pdf
Publikováno v:
Nucleic Acids Research
The SwissBioisostere database (http://www.swissbioisostere.ch) contains information on molecular replacements and their performance in biochemical assays. It is meant to provide researchers in drug discovery projects with ideas for bioisosteric modif
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e6bbd8625e46f7eba6f456e6f78acf1f
http://doc.rero.ch/record/292919/files/gks1059.pdf
http://doc.rero.ch/record/292919/files/gks1059.pdf
Publikováno v:
Tetrahedron Letters. 53:5030-5033
Propylphosphonic anhydride (®T3P), a low toxic peptide coupling agent, has been demonstrated to be an efficient catalyst for the chemoselective acetalization and thioacetalization of aldehydes in the presence of ketones. Cyclic and acyclic acetals o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ff724a7146dfd4313130ea653940a16d
https://doi.org/10.1016/j.tetlet.2012.07.052
https://doi.org/10.1016/j.tetlet.2012.07.052
Autor:
Matthias Wirth, Wolfgang H. B. Sauer
Publikováno v:
Molecular Informatics. 30:677-688
In this study, we examined target subsets extracted from the MDL Drug Data Report (MDDR)1 to identify specific molecular shape profiles that are representative for compounds active on those targets. Normalized Principal Moments of Inertia Ratios (NPR
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6f46d0ff573f9dd2d0e982f2e388e7e1
https://doi.org/10.1002/minf.201100034
https://doi.org/10.1002/minf.201100034
Autor:
Anthony Nichols, David Covini, Anna Quattropani, Jean-François Arrighi, Yves Cambet, Maurizio Maio, Thierry Martin, Olivier Schott, Bernard Françon, Laurence Novo-Perez, Don Simpson, Delphine Marin, Delphine Rivron, Cristina Donini, Agnes Bombrun, Pierre-Alain Vitte, Stefano Crosignani, Wolfgang H. B. Sauer, Isabelle Martinou, Dominique Swinnen, Valerie Eligert, Fabienne Burgat-Charvillon
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 20:1516-1519
The discovery of a novel series of S1P1 agonists is described. Starting from a micromolar HTS positive, iterative optimization gave rise to several single-digit nanomolar S1P1 agonists. The compounds were able to induce internalization of the S1P1 re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::016d011f2a43aa5c6d794dc932148d8b
https://doi.org/10.1016/j.bmcl.2010.01.102
https://doi.org/10.1016/j.bmcl.2010.01.102
Autor:
Sebastien Nock, Valerie Eligert, Stefano Crosignani, Manfred Schneider, Agnes Bombrun, Adriano Luis Soares de Souza, Anna Quattropani, Delphine Marin, Susanna Carboni, Fanny Beltran, Patrick Gerber, Jerome Gonzalez, Pierre-Alain Vitte, Jerome Dorbais, Ursula Boschert, Katrin Georgi, Laurence Novo-Perez, Anthony Nichols, Mathilde Muzerelle, Wolfgang H. B. Sauer, Jennifer Hantson, Jean-François Arrighi
Publikováno v:
ChemMedChem. 10(4)
Sphingosine-1-phosphate (S1P) receptor agonists have shown promise as therapeutic agents for multiple sclerosis (MS) due to their regulatory roles within the immune, central nervous system, and cardiovascular system. Here, the design and optimization
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a3f80d36b98d5c2c0d0c39b6edbe49c6
https://pubmed.ncbi.nlm.nih.gov/25735812
https://pubmed.ncbi.nlm.nih.gov/25735812
Autor:
Jean-Pierre Gotteland, Thomas Rückle, Montserrat Camps, Tania Grippi-Vallotton, Xuliang Jiang, Christian Chabert, Dennis Church, Steve Arkinstall, Wolfgang H. B. Sauer, Isabelle Martinou, Marco A. Biamonte, Anthony Nichols, Serge Halazy, Yves Cambet
Publikováno v:
Journal of Medicinal Chemistry. 47:6921-6934
Several lines of evidence support the hypothesis that c-Jun N-terminal kinases (JNKs) play a critical role in a wide range of disease states including cell death (apoptosis)-related and inflammatory disorders (epilepsy, brain, heart and renal ischemi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::def5451589ab3e196c3a5cb27ad9e8f7
https://doi.org/10.1021/jm031112e
https://doi.org/10.1021/jm031112e
Autor:
Janine Cossy, Santosh S. Kulkarni, Julie Routier, Fabienne Burgat Charvillon, Agnes Bombrun, Wolfgang H. B. Sauer, Domingo Gomez Pardo, Aurelie Orliac
Publikováno v:
ChemInform. 45
The study of the physical properties of the novel compounds reveal that fluorine atoms decrease the pKa and modulate the lipophilicity of aminopiperidines.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cf861ca9dd99c6f2b3bbaaba24de7a65
https://doi.org/10.1002/chin.201437161
https://doi.org/10.1002/chin.201437161
Autor:
Santosh S. Kulkarni, Domingo Gomez Pardo, Aurelie Orliac, Wolfgang H. B. Sauer, Julie Routier, Agnes Bombrun, Janine Cossy, Fabienne Burgat Charvillon
Publikováno v:
Chemistry (Weinheim an der Bergstrasse, Germany). 20(13)
The enantioselective syntheses of 3-amino-5-fluoropiperidines and 3-amino-5,5-difluoropiperidines were developed using the ring enlargement of prolinols to access libraries of 3-amino- and 3-amidofluoropiperidines. The study of the physicochemical pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::394442356055d2ab59e5e99bc1d58714
https://pubmed.ncbi.nlm.nih.gov/24532344
https://pubmed.ncbi.nlm.nih.gov/24532344
Publikováno v:
Chemistry - A European Journal. 2:9-18
Structures and conformations of the azaenolate lithium salts of amides (formamide, acetamide, and N-methylacetamide) and of the dipeptide model N-formylalaninamide were investigated by means of ab initio MO theory. Four possible structures of the lit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bb6196cfebfb02e199487ef8580c9679
https://doi.org/10.1002/chem.19960020106
https://doi.org/10.1002/chem.19960020106