Wirkstoffdesign und Optimierung

S. Elangovan, A. Afanasenko, J. Haupenthal, Z. Sun, Y. Liu, A. K. H. Hirsch, K. Barta, ACS Central Science 2019, accepted. From wood to tetrahydro-2-benzazepines in three waste-free steps: modular synthesis of biologically active lignin-derived scaffolds.

P. Bentler, K. Bergander, C. G. Daniliuc, C. Mück‐Lichtenfeld, R. P. Jumde, A. K. H. Hirsch, R. Gilmour, Angew. Chem. Int. Ed. 2019, DOI: 10.1002/anie.201905452. Inverting Small Molecule–Protein Recognition by the Fluorine Gauche Effect: Selectivity Regulated by Multiple H→F Bioisosterism

Fragment-Linking and -Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry, M. Mondal, N. Radeva, H. Fanlo-Virgós, S. Otto, G. Klebe, A. K. H. Hirsch, Angew. Chem. Int. Ed. 2016, 55, 9422–9426.

M. Mondal, M. Y. Unver, A. Pal, M. Bakker, S. P. Berrier, A. K. H. Hirsch**, Chem. Eur. J. 2016, 22, 14826-14830. Fragment-Based Drug Design Facilitated by Protein-Templated Click Chemistry: Fragment Linking and -Optimization of Inhibitors of the Aspartic Protease Endothiapepsin.

Structure-Based Design of Novel Inhibitors of the Aspartic Protease Endothiapepsin Exploiting Dynamic Combinatorial Chemistry, M. Mondal, N. Radeva, H. Köster, A. Park, C. Potamitis, M. Zervou, G. Klebe, A. K. H. Hirsch, Angew. Chem. Int. Ed. 2014, 12, 3259–3263.

vollständige Publikationsliste

Lu, C., Maurer, C.K., Kirsch, B., Steinbach, A., Hartmann, R.W. (2014) Overcoming unexpected functional inversion of PqsR antagonist in Pseudomonas aeruginosa led to the first in vivo potent anti-virulence agent targeting pqs quorum sensing, Angewandte, 53, 1109 –1112

Storz, M.P., Brengel, C., Weidel, E.,  Hoffmann, M., Hollemeyer, K., Empting, M. Steinbach, A., Müller, R., Hartmann, R.W. (2013) Biochemical and biophysical analysis of a chiral PqsD inhibitor revealing tight-binding behavior and enantiomers with contrary thermodynamic signatures, ACS Chem. Biol., 8, 2794-2801

Sahner, H.J., Brengel, C.,  Storz, Groh, M., Plaza, A.P.,  Negri, M.,  Müller, R., Hartmann, R.W. (2013) Combining in silico and biophysical methods for the development of Pseudomonas aeruginosa quorum sensing inhibitors - an alternative approach for structure-based drug design, J. Med.Chem., 56, 8656-8664

Zender, M., Klein, T., Henn, C., Kirsch, B., Maurer, C.K., Kail, D., Ritter, C., Dolezal, O., Steinbach, A., Hartmann, R.W.(2013) Discovery and Biophysical Characterization of 2-Amino-Oxadiazoles as novel Antagonists of PqsR - an important regulator of Pseudomonas aeruginosa virulence, J. Med. Chem., 56, 6761−6774

Weidel, E., DeJong, J., Brengel, C., Storz, M., Braunshausen, A., Negri, M., Plaza, A., Steinbach, A., Müller, R., Hartmann, R. (2013) Structure Optimization of 2-Benzamidobenzoic acids as PqsD inhibitors for Pseudomonas aeruginosa infections and elucidation of binding mode by SPR, STD NMR and molecular docking, J. Med. Chem., 56, 6146−6155

Hüsecken, K., Negri, M., Fruth, M., Hartmann, R.W., Haupenthal, J. (2013) Peptide-based investigation of the Escherichia coli RNA polymerase σ70:core interface as target site, ACS Chem. Biol., 8, 758–766

Storz,M.P.; Maurer,C.K.; Zimmer,C.; Wagner,N.; Brengel,C.; De Jong,J.C.; Lucas,S.; Musken,M.; Häußler,Susanne; Steinbach,A.; Hartmann,Rolf W.;  (Jahr: 2012). Titel: Validation of PqsD as an Anti-biofilm Target in Pseudomonas aeruginosa by Development of Small-Molecule Inhibitors. Zeitschrift: Journal of the American Chemical Society

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