Zobrazeno 1 - 10
of 25
pro vyhledávání: '"Markus O Zimmermann"'
Publikováno v:
Frontiers in Chemistry, Vol 9 (2022)
Fragment-based drug discovery is one of the most utilized approaches for the identification of novel weakly binding ligands, by efficiently covering a wide chemical space with rather few compounds and by allowing more diverse binding modes to be foun
Externí odkaz:
https://doaj.org/article/c476b76c0c654f17934ff5b5e83bb90a
Publikováno v:
Drug Design, Development and Therapy. 17:1247-1274
Sebastian Vaas,1 Markus O Zimmermann,1 Theresa Klett,1 Frank M Boeckler1,2 1Department of Pharmacy and Biochemistry, Eberhard Karls Universität Tübingen, Laboratory for Molecular Design and Pharmaceutical Biophysics, Institute of Pharmaceutical
Autor:
Thomas Majer, Keshab Bhattarai, Jan Straetener, Justus Pohlmann, Patrick Cahill, Markus O. Zimmermann, Marc P. Hübner, Marcel Kaiser, Johan Svenson, Michael Schindler, Heike Brötz-Oesterhelt, Frank M. Boeckler, Harald Gross
Publikováno v:
Marine Drugs, Vol 20, Iss 8, p 532 (2022)
Two new ircinianin-type sesterterpenoids, ircinianin lactone B and ircinianin lactone C (7 and 8), together with five known entities from the ircinianin compound family (1, 3–6) were isolated from the marine sponge Ircinia wistarii. Ircinianin lact
Externí odkaz:
https://doaj.org/article/81201b1953774ebdb89e3abda1c4df48
Autor:
Jason Stahlecker, Theresa Klett, Martin Schwer, Simon Jaag, Marcel Dammann, Larissa N. Ernst, Michael B. Braun, Markus O. Zimmermann, Markus Kramer, Michael Lämmerhofer, Thilo Stehle, Murray Coles, Frank M. Boeckler
Publikováno v:
RSC Medicinal Chemistry. 13:1575-1586
The cellular tumor antigen p53 is a key component in cell cycle control. The mutation Y220C heavily destabilizes the protein thermally but yields a druggable crevice. We have screened the diversity-optimized halogen-enriched fragment library against
Autor:
Gross, Thomas Majer, Keshab Bhattarai, Jan Straetener, Justus Pohlmann, Patrick Cahill, Markus O. Zimmermann, Marc P. Hübner, Marcel Kaiser, Johan Svenson, Michael Schindler, Heike Brötz-Oesterhelt, Frank M. Boeckler, Harald
Publikováno v:
Marine Drugs; Volume 20; Issue 8; Pages: 532
Two new ircinianin-type sesterterpenoids, ircinianin lactone B and ircinianin lactone C (7 and 8), together with five known entities from the ircinianin compound family (1, 3–6) were isolated from the marine sponge Ircinia wistarii. Ircinianin lact
Publikováno v:
Frontiers in chemistry. 9
Fragment-based drug discovery is one of the most utilized approaches for the identification of novel weakly binding ligands, by efficiently covering a wide chemical space with rather few compounds and by allowing more diverse binding modes to be foun
Publikováno v:
Journal of Chemical Information and Modeling. 59:885-894
Halogen bonds have become increasingly popular interactions in molecular design and drug discovery. One of the key features is the strong dependence of the size and magnitude of the halogen's σ-hole on the chemical environment of the ligand. The ter
Publikováno v:
VST@SANER
Automated test case generation techniques usually aim to maximize some coverage criteria. For object oriented languages, like Java, the branches that can be reached in source code, frequently depend on the internal object state. Meaning certain branc
Autor:
Andreas C. Joerger, Frank M. Boeckler, Matthias R. Bauer, Rainer Wilcken, Trevor J. Rutherford, Markus O. Zimmermann, Alan R. Fersht
Publikováno v:
ACS Chemical Biology
Bioisosteric replacements are widely used in medicinal chemistry to improve physicochemical and ADME properties of molecules while retaining or improving affinity. Here, using the p53 cancer mutant Y220C as a test case, we investigate both computatio
Publikováno v:
Journal of Chemical Information and Modeling. 55:687-699
We present a QM-derived empirical scoring function for the interaction between aromatic halogenated ligands and the carbonyl oxygen atom of the protein backbone. Applying this scoring function, we developed an algorithm that evaluates the potential o