Medizinische Chemie - Publikationen
Nitsche, C., Behnam, M.A. Steuer, C., Klein, C.D.* Retro peptide-hybrids as selective inhibitors of the Dengue virus NS2B-NS3 protease.
Antiviral Research, 2012, 94, 72-79.
Poreba, M., Gajda, A., Picha, J., Jiracek, J., Marschner, A., Klein, C.D., Salvesen, G., Drag, M., S1 pocket fingerprints of human and bacterial methionine aminopeptidases determined using fluorogenic libraries of substrates and phosphorus based inhibitors.
Biochimie, 2012, 94, 704-10.
Mendgen, T., Steuer, C., Klein, C.D.* Privileged Scaffolds or Promiscuous Binders – A Comparative Study on Rhodanines and Related Heterocycles in Medicinal Chemistry.
Journal of Medicinal Chemistry, 2011, 55, 743–753.
Nitsche, C., Steuer, C., Klein, C.D.* Arylcyanoacrylamides as inhibitors of the Dengue and West Nile virus proteases.
Bioorganic & Medicinal Chemistry, 2011, 19, 7318-7337
Steuer, C., Gege, C., Fischl, W., Heinonen, K.H., Bartenschlager, R., Klein, C.D.* Synthesis and biological evaluation of α-ketoamides as inhibitors of the Dengue virus protease with antiviral activity in cell-culture.
Bioorganic & Medicinal Chemistry 2011, 19, 4067-4074
Förster, S., Persch, E., Tverskoy, O., Rominger, F., Helmchen, G., Klein, C.D., Gönen, B., Brügger, B.. Syntheses and Biological Properties of Brefeldin Analogues.
Eur. J. Org. Chem., 2011, 5, 878-891
Mendgen, T., Scholz, T., Klein, C.D.* Structure-Activity Relationships of Tulipalines, Tuliposides and Related Compounds as Inhibitors of MurA.
Bioorg. Med. Chem. Lett. 2010, 20, 5757-62.
Altmeyer, M.A., Marschner, A., Schiffmann. R., Klein, C.D.* Subtype-selectivity of metal-dependent methionine aminopeptidase inhibitors.
Bioorg. Med. Chem. Lett. 2010, 20, 4038-4044.
Steuer, C., Heinonen, K., Kattner, L., Klein, C.D.* Optimization of Assay Conditions for Dengue Virus Protease: Effect of Various Polyols and Non-Ionic Detergents.
J. Biomol. Screening, 2009, 14, 1102-1108
Ziegler, S., Kronenberger, B., Albrecht, B., Kaul, A., Gamer, A., Klein, C.D.*, Hartmann, R.W.* Development and Evaluation of a FACS-Based Medium Throughput Assay for HCV Entry Inhibitors.
J. Biomol. Screening, 2009, 14, 620-626
Gege, C., Klein, C.D.* Frontiers in Medicinal Chemistry 2009 - a Summary of the Meeting at Heidelberg University.
ChemMedChem. 2009, 4, 1371-1376
Steinbach, A., Scheidig, A.J., Klein, C.D.* The unusual binding mode of cnicin to the antibacterial target enzyme MurA revealed by X-ray crystallography.
J. Med. Chem., 2008, 51, 5143-5148
Holzer, M., Ziegler, S., Albrecht, B., Kronenberger, B., Bartenschlager, R., Kattner, L., Klein, C.D., Hartmann, R.W. Identification of Terfenadine as an Inhibitor of Human CD81-receptor HCV-E2 Interaction: Synthesis and Structure Optimization
Molecules, 2008, 13, 1081-1110
Holzer, M., Ziegler, S., Neugebauer, A., Kronenberger, B., Klein, C.D.*, Hartmann, R.W.* Structural Modifications of Salicylates: Inhibitors of Human CD81-Receptor HCV-E2 Interaction.
Arch. Pharm., 2008, 341, 478-484
Holzer, M., Ziegler, S., Kronenberger, B., Klein, C.D., Hartmann, R.W. * Microwave assisted syntheses of amino acid ester substituted benzoic acid amides: Potential inhibitors of human CD81-receptor HCV-E2 interaction.
The Open Medicinal Chemistry Journal, 2008, 2, 21-25.
Neugebauer, A.; Hartmann, R.W.; Klein C.D.* Prediction of protein-protein interaction inhibitors by chemoinformatics and machine learning methods.
J. Med. Chem., 2007, 50, 4665-4668
Bachelier, A.; Mayer, R.; Klein, C.D.* Sesquiterpene Lactones are Potent and Irreversible Inhibitors of MurA.
Bioorg. Med. Chem. Letters, 2006, 21, 5605-5609
Klein, C.D.*; Bachelier, A. Molecular Modeling and Bioinformatical Analysis of the Antibacterial Target Enzyme MurA from a Drug Design Perspective.
Journal of Computer-Aided Molecular Design, 2006, 20, 621-628
Schiffmann, R.; Neugebauer, A.; Klein, C.D.* Metal-Mediated Inhibition of E. coli Methionine Aminopeptidase: Structure-Activity Relationships and Development of a Novel Scoring Function for Metal-Ligand Interactions.
J. Med. Chem. 2006, 49, 511-522
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Schiffmann, R.; Heine, A.; Klebe, G.; Klein, C.D.* Metal Ions as Cofactors for Ligand Binding at Methionine Aminopeptidase: A Critical View on the Relevance of in vitro Metalloenzyme Assays. |
Ashraf H. Abadi, A.H.; Sahar M. Abou-Seri, S.M.; Abdel-Rahman, S.E.; Klein, C.D.; Lozach, O.; Meijer, L. Synthesis of 3-substituted-2-oxoindole analogues and their evaluation as kinase inhibitors, anticancer and antiangiogenic agents.
Eur. J. Med. Chem. 2006, 41, 296–305
Ulmschneider, S.; Müller-Vieira, U.; Mitrenga, M.; Hartmann, R.W.; Oberwinkler-Marchais, S.; Klein, C.D.; Bureik, M.; Bernhardt, R.; Antes. I.; Lengauer, T. Synthesis and Evaluation of Imidazolylmethylene-tetrahydronaphthalenes and -indanes: Potent Inhibitors of Aldosterone Synthase (CYP11B2).
J. Med. Chem. 2005, 48, 1796-1805
Ulmschneider, S.; Müller-Vieira, U.; Klein, C.D.; Antes, I.; Lengauer, T.; Hartmann, R.W. Synthesis and Evaluation of Pyridylmethylene-tetrahydronaphthalenes / -indanes and structurally modified derivatives: Potent and Selective Inhibitors of Aldosterone Synthase (CYP11B2).
J. Med. Chem., 2005, 48, 1563-75
Neugebauer, A.; Klein, C.; Hartmann, R.W. Protein-Dynamics of the Putative HCV Receptor CD81 Large Extracellular Loop.
Bioorg. Med. Chem. Lett. 2004, 14, 1765-1769.
de Pol, S.; Zorn, C.; Klein, C.; Zerbe, O.; Reiser, O. Surprisingly Stable Helical Structures in altering a/b-Peptides by Incorporation of Cis-b-Aminocyclopropane Carboxylic Acids. de Pol, S.; Zorn, C.; Klein, C.; Zerbe, O.; Reiser, O. Surprisingly Stable Helical Structures in altering a/b-Peptides by Incorporation of Cis-b-Aminocyclopropane Carboxylic Acids.
Angew. Chem. Int. Ed. 2004, 43, 511 –514
Klein,C.*; Schiffmann, R.; Folkers, G.; Piana, S.; Röthlisberger, U. Protonation States of Methionine Aminopeptidase and Their Relevance For Inhibitor Binding and Catalytic Activity.
Journal of Biological Chemistry, 2003, 278, 47862–47867.
Klein, C.* Protonation States of Methionine Aminopeptidase Studied by QM/MM Car-Parrinello Molecular Dynamics Simulations.
High Performance Computing in Science and Engineering, 2003, 393-402.
Klein, C.*; Folkers, G. Understanding the Selectivity of Fumagillin for the Methionine Aminopeptidase Type II.
Oncology Research and AntiCancer Drug Design, 2003, 13, 513-520.
Hartmann, R.W.; Ehmer, P.B.; Haidar, S.; Hector, M.; Jose, J.; Klein, C.; Seidel, S.B.; Sergejew, T.F.; Wachall, B.G.; Wächter, G.A.; Zhuang, Y. Inhibition of CYP17, a New Strategy for the Treatment of Prostate Cancer.
Arch. Pharm. Pharm. Med. Chem., 2002, 4, 119-128.
Folkers, G.; Klein, C. Computational Methods Facilitate the Assignment of Protein Functions.
Angew. Chem. Int. Ed. Engl., 2001, 40, 4175-4177.
Baston, E.; Klein, C.; Hartmann, R.W.; et al. Synthesis, evaluation, and QSAR studies of highly potent aromatase inhibitors of the piperidinedione type.
Anti-Cancer Drug Design, 2001, 16, 37-47.
Klein, C.*; Tabeteh, G.F.; v. Laguna, A., Holzgrabe, U.; Mohr, K. Lipophilicity and Membrane Interactions of Cationic-Amphiphilic Compounds: Syntheses and Structure-Property Relationships.
Eu. J. Pharm. Sci. 2001, 14, 167-175.
Haidar, S.; Klein., C.; Hartmann, R.W. Synthesis and Evaluation of Steroidal Hydroxamic Acids as Inhibitors of P45017 (17a-Hydroxylase-C17-20-Lyase)
Arch. Pharm. Pharm. Med. Chem. 2001, 334, 138-140
Klein, C.; Klingmüller, M.; Schellinski, M.; Landmann, S.; Hauschild, S.; Heber, D.; Mohr, K.; Hopfinger, A.J. Synthesis, Pharmacological and Biophysical Characterization, and Membrane-Interaction QSAR Analysis of Cationic-Amphiphilic Model Compounds.
J. Med. Chem. 1999, 42, 3874-3888
Klein, C.; Hopfinger, A.J. Pharmacological Activity and Membrane Interactions of Antiarrhythmics: 4D-QSAR/QSPR Analysis.
Pharm. Res. 1998, 15, 303-311.
