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Department of Chemistry

Departmentof Chemistry

Photo: Thomas Lemcke

Publications

Photo: ISMC

Current posters

Here you will find links to current posters that were displayed at the International Symposium on Medicinal Chemistry in Lisboa in September 2014:

3D‐QSAR Model for GyrB ATPase Inhibition of E.Coli by
Small Molecules (PDF)
Structure Based Design of New Thieno[2,3-b]Pyridines as Selective Plasmodium Glycogen Synthase Kinase-3 (PfGSK-3) Inhibitors Using Molecular Dynamics Simulations and MM/GBSA-Calculations (PDF)
Hit Search for ATPase Inhibitors of the GyrB‐Subunit (PDF)

Papers

Oetjen, E., Lemcke, T.; Dual leucine zipper kinase (MAP3K12) modulators: a patent review (2010-2015). Expert Opinion on Therapeutic Patents. 2015, 26, 607-616

Fugel, W., Oberholzer, A.E., Gschoessl, B., Dzikowski, R., Pressburger, N., Preu, L., Pearl, L.H. Baratte, B., Ratin, M., Okun, I., Doerig, C., Kruggel, S., Lemcke, T., Meijer, L., Kunick, C.; 3,6-Diamino-4-(2-halophenyl)-2-benzoylthieno[2,3-b]pyridine-5-carbonitriles are Selective Inhibitors of Plasmodium falciparum Glycogen Synthese Kinase-3. J. Med.Chem. 2013, 56, 264-275

Schmidt, S., Preu, L., Lemcke, T., Totzke, F., Schächtele, C., Kubbutat, M.H.G., Kunick, C.; Dual IGF-1R/SRC inhibitors based on a N’-aroyl-2-(1H-indol-3-yl)-2-oxoacetohydrazide structure. Eur. J. Med. Chem. 46, 2011, 2759-2769

Lemcke, T.*, Dreher, J., Rarey, M., Totzke, F., Schächtele, C., Kubbutat, M.H.G, Kunick, C.; Identification of Inhibitors of the Tyrosine Kinase c-Met by Structure-Based Virtual Screening. Mol. Inf.,30, 2011, 145-150

Brandt, W., Mologni, L., Preu, L., Lemcke, T., Gambacorti-Passerini, C., Kunick, C.; Inhibitors of the RET tyrosine kinase based on a 2-(alkylsulfanyl)-4-(3-thienyl)nicotinonitril scaffold. Eur. J. Med. Chem. 45, 2010, 2919-2927

Kruggel, S., Lemcke, T.; Comparative Investigation of the ATP-Binding Site of Human and Plasmodial Glycogen Synthase Kinase-3. QSAR Comb. Sci., 28, 2009, No. 8, 885-890

Kruggel, S.; Lemcke, T.; Generation and Evaluation of a Homology Model of PfGSK-3. Arch. Pharm. Chem. Life Sci. 2009, 342, 327–332

Stukenbrock, H.; Mussmann, R.; Geese, M.; Ferandin, Y.; Lozach, O.; Lemcke, T.; Kegel, S.; Lomow, A.; Burk, U.; Dohrmann, C.; Meijer, L.; Austen, M.; Kunick, C. 9-Cyano-1-azapaullone (Cazpaullone), a Glycogen Synthase Kinase-3 (GSK-3) Inhibitor Activating Pancreatic β Cell Protection and Replication. Journal of Medicinal Chemistry 2008, 51, 2196-2207

Lenz, J., Lemcke, T., Heisig, P., Torda, A., Modelling the Gyrase-DNA-Interaction using Docking and Molecular Dynamics Simulation. German Conference on Bioinformatics GCB 2007

Kunick, C., Lemcke, T., Meijer, L.: Paullones. In: "Inhibitors of cyclin-dependent kinases as antitumor agents", P. J. Smith, E. Yue (Editors), CRC Press LLC, Boca Raton (USA), 2006, 227-249.

Xu Xie, Thomas Lemcke, Rick Gussio, Daniel W. Zaharevitz, Maryse Leost, Laurent Meijer, and Conrad Kunick *, Epoxide-Containing Side Chains Enhance Antiproliferative Activity of Paullones. Eur. J. Med. Chem, 40 2005 655-661

Kunick, C., Zeng, Z., Zaharewitz, D.W., Leost, M., Totzke, F., Schächtele, C., Kubbutat, M., Meijer, L., and Lemcke, T. Structure-aided optimization of kinase inhibitors derived from alsterpaullone. ChemBioChem, 6 2005, 541-9.

McGrath, C.F., Pattabiraman, N., Kellogg, G.E., Lemcke, T., Kunick, C., Sausville, E.A., Zaharewitz, D.W., Gussio, R., Homology Model of the CDK1/cyclin B Complex. Journal of Biomolecular Structure & Dynamics, 22 2005, 493-502.

Kunick, C., Lauenroth, K., Wieking, K., Xie, X., Schultz, C., Gussio, R., Zaharevitz, D., Leost, M., Meijer, L., Weber, A., Joergensen, F. S. and Lemcke, T.*; Evaluation and Comparison of 3D-QSAR CoMSIA Models for CDK1, CDK5, and GSK-3 Inhibition by Paullones. J. Med. Chem. 2004, 47, 22-36

Kunick, C.*, Lauenroth, K., Leost, M., Meijer, L., Lemcke, T. 1-Azakenpaullone is a selective inhibitor of glycogen synthase kinase-3b. Bioorg. Med. Chem. Lett., 14 (2004), 413-416.

Kunick, C.; Lemcke, Th.: Paullone als selektive Kinase-Inhibitoren. Pharm. Ztg. 2002, 147, 2428-2435.

Lemcke, T.; Kunick, C.; Joergensen, F. S. 3D-QSAR Analysis of the CDK-inhibiting activity of paullones. Arch. Pharm. Pharm. Med. Chem. 334, 2001. Suppl. 2, 41

Meyer, T.; Lemcke, T.; Geffken, D.; Kaulfers, P.-M. (2001). Synthesis and antibacterial activity of 5- and 6-hydroxy substituted 4-amino-quinolines and derivatives. Pharmazie 56, 9, 691-695

Kunick, C.; Schultz, C.; Lemcke, T.; Zaharevitz, D. W.; Gussio, R.; Jalluri, R. K.; Sausville, E. A.; Leost, M.; Meijer, L. 2-Substituted paullones: CDK1/cyclin B-inhibiting property and in vitro antiproliferative activity. Bioorg. Med. Chem. Lett., 10, 2000 567-569.

Lemcke, T., Christensen, I. T., Joergensen, F. S. Towards an understanding of drug resistance in Malaria: Three-dimensional structure of Plasmodium falciparum dihydrofolate reductase by homology building. Bioorganic & Medicinal Chemistry 7, 1999 1003-1011

Lemcke, T., Christensen, I. T., Joergensen, F. S.. Homology modelling of dihydrofolate reductase from the malaria parasite. Eur. J. Pharm. Sci. 4 (Suppl.), 1996 105

Lemcke, Th., Messinger, P. Sulfonylsubstituierte Heterocyclen aus b-Oxo-b-sulfonyl-enolethern und Amidinen, Hydrazinen und Hydroxylamin. Arch. Pharm. (Weinheim) 328, 1995, 269-270

Lemcke, Th., Messinger, P. Darstellung sulfonylsubstituierter Heterocyclen durch Cyclokondensation von Sulfonen mit bifunktionellen Verbindungen. J. Prakt. Chem. 336, 1994, 1-4

Publications

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