…From Single Molecules to Cells…
Fachbereich 14

2022

	Helmstädter, M., Schierle, S., Isigkeit, L., Proschak, E., Marschner, J.A., Merk, D. (2022) Activity Screening of Fatty Acid Mimetic Drugs Identified Nuclear Receptor Agonists Int. J. Mol. Sci. 2022 23, 10070
	Ehrler, J.H.M., Brunst, S., Tjaden, A., Kilu, W., Heering, J., Hernandez-Olmos, V., Krommes, A., Kramer, J.S., Steinhilber, D., Schubert-Zsilavecz, M., Müller, S., Merk, D., Proschak, E. (2022) Compilation and evaluation of a fatty acid mimetics screening library Biochem. Pharmacol. 204, 115191
	Brunst, S., Schönfeld, J., Breunig, P., Burgers, L.D., DeMeglio, M., Ehrler, J.H.M., Lillich, F.F., Weizel, L., Hefendehl, J.K., Fürst, R., Proschak, E., Hiesinger, K. (2022) Designing a Small Fluorescent Inhibitor to Investigate Soluble Epoxide Hydrolase Engagement in Living Cells ACS Med. Chem. Lett. 2022 13, 7, 1062-1067
	Kaya, C., Konstantinović, J., Kany, A., Andreas, A., Kramer, J., Brunst, S., Weizel, L., Rotter, M., Frank, D., Yahiaoui, S., Müller, R., Hartmann, R., Haupenthal, J., Proschak, E., Wichelhaus, T., Hirsch, AKH. (2022) N-Aryl mercaptopropionamides as broad-spectrum inhibitors of metallo-beta-lactamases J. Med. Chem. 65, 5, 3913-3922
	Heering, J., Hernandez-Olmos, V., Ildefeld, N., Liu, T., Kaiser, A., Naeem, Z., Frömel, T., Fleming, I., Steinhilber, S., Proschak, E. (2022) Development and characterization of a fluorescent ligand for Leukotriene B4 receptor 2 in cells and tissues J. Med. Chem.65, 3; 2023-2034
	Seredinski, S., Boos, F., Günther, S., Oo, J.A., Warwick, T., Izquierdo Ponce, J., Lillich, F., Proschak, E., Knapp, S., Gilsbach, R., Pflüger-Müller, B., Brandes, R.P., Leisegang, M.S. (2022) DNA topoisomerase inhibition with the HIF inhibitor Acriflavine promotes the transcription of lncRNAs in endothelial cells. Mol. Ther. Nucleic Acids27; 1023-1035
	Willems, S., Müller, M., Ohrndorf, J., Heering, J., Proschak, E., Merk, D. (2022) Scaffold hopping from amodiaquine to novel Nurr1 agonist chemotypes via microscale analogue libraries, ChemMedChem 2022, 17, e2022000
	Zhu, W. F., Krämer, A., Knapp, S., Proschak, E., Hernandez-Olmos, V. (2022) Cascade Synthesis of Kinase-Privileged 3-Aminoindazoles via Intramolecular N-N Bond Formation J. Org. Chem. 2022, 87, 5, 3856–3862
	Mastromarino, M., Niso, M., Abate, C., Proschak, E., Dubiel, M., Stark, H., Castro, M., Lacivita, E., Leopoldo, M. (2022) Design and Synthesis of Arylpiperazine Serotonergic/Dopaminergic Ligands with Neuroprotective Properties. Molecules 2022 Feb; 27(4): 1297

2021

	Luciano, V. Langer, J., Proschak, E., Knapp, S., Marschalek, R., Heering, J. (2021) Closantel is an allosteric inhibitor of human Taspase1 iScience 2424; 103524
	Kaya, C., Konstantinović, J., Kany, A., Andreas, A., Kramer, J., Brunst, S., Weizel, L., Rotter, M., Frank, D., Yahiaoui, S., Müller, R., Hartmann, R., Haupenthal, J., Proschak, E., Wichelhaus, T., Hirsch, AKH. (2022) N-Aryl mercaptopropionamides as broad-spectrum inhibitors of metallo-beta-lactamases J. Med. Chem.12; 1698
	Lillich, F.F., Willems, S., Ni, X., Borkowsky, C., Kilu, W., Brodsky, M., Kramer, J.S., Brunst, S., Hernandez-Olmos, V., Heering, J., Schierle, S., Kestner, R.I., Mayser, F.M., Helmstädter, M., Göbel, T., Weizel, L., Namgaladze, D., Kaiser, A., Steinhilber, D., Pfeilschifter, W., Kahnt, A.S., Proschak, A., Chaikuad, A., Knapp, S., Merk, D., Proschak E. (2021) Structure-based design of dual partial peroxisome proliferator activated receptor agonists/ soluble epoxide hydrolase inhibitors J. Med. Chem.64; 17259-17276.
	Proschak, A., Martinelli, G., Frank, D., Rotter, M.J., Brunst, S., Weizel, L., Burgers, L.D., Fürst, R., Proschak, E., Sosič, I., Gobec, S., Wichelhaus, T.A. (2021) Nitroxoline and its derivatives are potent inhibitors of metallo-β-lactamases. Eur. J. Med. Chem.228;113975
	Imig, J.D., Merk, D., Proschak, E. (2021) Multi-Target Drugs for Kidney Diseases. Kidney360 2; 1645-1653.
	Yahiaoui, S., Voos, K., Haupenthal, J., Wichelhaus, T.A., Frank, D., Weizel, L., Rotter, M., Brunst, S., Kramer, J.S., Proschak, E., Ducho, C., Hirsch, A.K.H. (2021) N-Aryl mercaptoacetamides as potential multi-target inhibitors of metallo-β-lactamases (MBLs) and the virulence factor LasB from Pseudomonas aeruginosa RCS Med. Chem12; 1698-1708.
	Hernandez-Olmos, V., Heering, J., Bischoff-Kont, I., Kaps, A., Rajkumar, R., Liu, T., F rst, R., Steinhilber, D., Proschak, E. (2021) Discovery of Irbesartan Derivatives as BLT2 Agonists by Virtual Screening. ACS Med. Chem. Lett.12; 1261-1266.
	Helmstädter, M., Kaiser, A., Brunst, S., Schmidt, J., Ronchetti, R., Weizel, L., Proschak, E., Merk, D. (2021) Second-Generation Dual FXR/sEH Modulators with Optimized Pharmacokinetics J. Med. Chem64; 9525-9536.
	Krasavin,M., Zhukovsky, D., Solovyev, I., Barkhatova, D., Dar’in, D., Frank, D., Martinelli, G., Weizel, L., Proschak, A., Rotter, M., Kramer, J.S., Brunst, S., Wichelhaus, T.A., Proschak, E. (2021) Rh(II)-Catalyzed De-symmetrization of Ethane-1,2-dithiol and Propane-1,3-dithiol Yields Metallo-beta-lactamase Inhibitors ChemMedChem16; 1-9.
	Kilu, W., Merck, D., Steinhilber, D., Proschak, E., Heering, J. (2021) Heterodimer formation with retinoic acid receptor RXRα modulates coactivator recruitment by peroxisome proliferator-activated receptor PPARγ Journal of Biological Chemistry.
	Lillich, F., Imig, J.D., Proschak, E. (2021) Multi-target approaches in metabolic syndrome. Front. Pharmacol. 11; 554961.
	Hiesinger, K., Darìn, D., Proschak, E., Krasavin, M. (2021) Spirocyclic Scaffolds in Medicinal Chemistry. J. Med. Chem. 64; 150-183.
	Fischer, C., Willken-Schmitz, A., Hernandez-Olmos, V., Proschak, E., Stark, H., Fleming, E., Weigert, A., Thurn, M., Hofmann, M., Werner, E.R., Geisslinger, G., Niederberger, E., Watschinger, K., Tegeder, I AGMO inhibitor reduces 3T3-L1 adipogenesis Cells10; 1081.
	Schierle, S., Brunst, S., Helmstädter, M., Ebert, R., Kramer, J.S., Steinhilber, D., Proschak, E., Merk, D. (2021) Development and in vitro profiling of dual FXR/LTA4H modulators ChemMedChem16; 2366-2374.
	Schierle, S.; Chaikuad, A., Lillich, F., Ni, X., Woltersdorf, S., Schallmayer, E., Renelt, B., Ronchetti, R., Knapp, S., Proschak, E., Merk, D. (2021) Oxaprozin analogues as selective RXR agonists with superior properties and pharmacokinetics J. Med. Chem64; 5123-5136.
	Helmstädter, M., Schmidt, J., Kaiser, A., Weizel, L., Proschak, E., Merk, D. (2021) Differential therapeutic effects of FXR activation, sEH inhibition and dual FXR/sEH modulation in NASH in diet-induced obese mice ACS Pharmacol. Transl. Sci4; 966-979.
	Ni, X., Schröder, M., Olieric, V., Sharpe, M.E., Hernandez-Olmos, V., Proschak, E., Merk, D., Knapp, S., Chaikuad, A. (2021) Structural insights into plasticity and discovery of remdesivir metabolite GS-441524 binding in SARS-CoV-2 macrodomain ACS Med. Chem. Lett.12; 603-609.
	Hartmann, M., Huber, J., Kramer, J.S., Heering, J., Pietsch, L., Stark, L., Odadzic, D., Bischoff, I., Fürst, R., Schroder, M., Akutsu, M., Chaikuad, A., Dotsch, V., Knapp, S., Biondi, R.M., Rogov, V.V., Proschak, E. (2021) Demonstrating Ligandability of the LC3A and LC3B Adapter Interface. J. Med. Chem. 64; 3720-3746.
	Hartmann, M., Bibli, S.I., Tews, D., Ni, X., Kircher, T., Kramer, J.S., Kilu, W., Heering, J., Hernandez-Olmos, V., Weizel, L., Scriba, G.K.E., Krait, S., Knapp, S., Chaikuad, A., Merk, D., Fleming, I., Fischer-Posovszky, P., Proschak, E. (2021) Combined Cardioprotective and Adipocyte Browning Effects Promoted by the Eutomer of Dual sEH/PPARγ Modulator J. Med. Chem. 64; 2815-2828.
	Brunst, S., Kramer, J.S., Kilu, W., Heering, J., Pollinger, J., Hiesinger, K., George, S., Steinhilber, D., Merk, D., Proschak, E. (2021) Systematic assessment of fragment identification for multi‐target drug design. ChemMedChem. 16; 1088-1092.

2020

• Tietgen, M., Leukert, L., Sommer, J., Kramer, J.S., Brunst, S., Wittig, I., Proschak, E., Göttig, S. (2020)
  Characterisation of the Novel OXA-213-like Beta-Lactamase OXA-822 from Acinetobacter calcoaceticus.
  J. Antimicrob. Chemother. 76; 626-634.
• Hernandez-Olmos, V., Heering, J., Planz, V., Liu, T., Kaps, A., Rajkumar, R., Gramzow, M., Kaiser, A., Schubert-Zsilavecz, M., Parnham, M.J., Windbergs, M., Steinhilber, D., Proschak, E. (2020)
  First structure-activity relationship study of potent BLT2 agonists as potential wound healing promoters.
  J. Med. Chem. 63; 11548–11572.
• Hiesinger, K., Kramer, J.S., Beyer, S., Eckes, T., Brunst, S., Flauaus, C., Wittmann, S.K., Weizel, L., Kaiser, A., Kretschmer, S.B.M., George, S., Angioni, C., Heering, J., Geisslinger, G., Schubert-Zsilavecz, M., Schmidtko, A., Pogoryelov, D., Pfeilschifter, J., Hofmann, B., Steinhilber, D., Schwalm, S., Proschak, E (2020)
  Design, Synthesis and Structure-Activity-Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase.
  J. Med. Chem. 63; 11498–11521.
• Stavniichuk, A., Hye Khan, M.A., Yeboah, M.M., Chesnik, M.A., Jankiewicz, W.K., Hartmann, M., Blöcher, R., Kircher, T., Savchuk, O., Proschak, E., Imig, J.D. (2020)
  Dual Soluble Epoxide Hydrolase Inhibitor/PPAR-γ Agonist Attenuates Renal Fibrosis.
  ACS Prostaglandins Other Lipid Mediat. EPub; .
• Hefke, L., Hiesinger, K., Zhu, W.F., Kramer, J.S., Proschak, E. (2020)
  Computer-aided fragment growing strategies to design dual inhibitors of soluble epoxide hydrolase and LTA4 hydrolase.
  ACS Med. Chem. Lett. 11; 1244-1249.
• Gellrich, L., Heitel, P., Heering, J., Kilu, W., Pollinger, J., Goebel, T., Kahnt, A., Arifi, S., Pogoda, W., Paulke, A., Steinhilber, D., Proschak, E., Wurglics, M., Schubert-Zsilavecz, M., Chaikuad, A., Knapp, S., Bischoff, I., Fürst, R., Merk, D. (2020)
  L-thyroxin and the non-classical thyroid hormone TETRAC are potent activators of PPARγ.
  J Med Chem. 63; 6727-6740.
• Pflüger-Müller, B., Oo, J.A., Heering, J., Warwick, T., Proschak, E., Günther, S., Looso, M., Rezende, F., Fork, C., Geisslinger, G., Thomas, D., Gurke, R., Steinhilber, D., Schulz, M., Leisegang, M.S., Brandes, R.P. (2020)
  The endocannabinoid anandamide has an anti-inflammatory effect on CCL2 expression in vascular smooth muscle cells.
  Basic Res Cardiol. 115; 34.
• Hanke, T., Cheung, S.Y., Kilu, W., Heering, J., Ni, X., Planz, V., Schierle, S., Faudone, G., Friedrich, M., Wanior, M., Werz, O., Windbergs, M., Proschak, E., Schubert-Zsilavecz, M., Chaikuad, A., Knapp, S., Merk, D. (2020)
  A Selective Modulator of Peroxisome Proliferator-Activated Receptor γ with an Unprecedented Binding Mode.
  J Med Chem. 63; 4555-4561.
• Hagenow, J., Hagenow, S., Grau, K., Khanfar, M., Hefke, L., Proschak, E., Stark, H. (2020)
  Reversible Small Molecule Inhibitors of MAO A and MAO B with Anilide Motifs.
  Drug Des. Dev. Ther. 14; 371-393.
• Hiesinger, K., Schott, A., Kramer, J.S., Blöcher, R., Witt, W., Wittmann, S.K., Steinhilber, D., Pogoryelov, D., Gerstmeier, J., Werz, O., Proschak, E. (2020)
  Design of dual inhibitors of soluble epoxide hydrolase and LTA4 hydrolase.
  ACS Med. Chem. Lett. 11; 298-302.
• Scholz, M.S., Wingen, L.M., Brunst, S., Wittmann, S.K., Cardoso, I.L.A., Weizel, L., Proschak E. (2020)
  Soluble epoxide hydrolase inhibitors with carboranes as non-natural 3-D pharmacophores.
  Eur. J. Med. Chem. 185; 111766.
• Schierle, S., Helmstädter, M., Schmidt, J., Hartmann, M., Horz, M., Kaiser, A., Weizel, L., Heitel, P., Proschak, A., Hernandez-Olmos, V., Proschak, E., Merk, D. (2020)
  Dual Farnesoid X Receptor/Soluble Epoxide Hydrolase Modulators Derived from Zafirlukast.
  ChemMedChem 15; 50-67.

2019

• Hernandez-Olmos, V., Knape, T., Heering, J., von Knethen, A., Kilu, W., Kaiser, A., Wurglics, M., Helmstädter, M., Merk, D., Schubert-Zsilavecz, M., Parnham, M.J., Steinhilber, D., Proschak, E. (2019)
  Structure Optimization of a new class of PPARγ antagonists.
  Bioorg. Med. Chem. 27; 115082.
• Kramer, J.S., Woltersdorf, S., Duflot, T., Hiesinger, K., Lillich, F.F., Knöll, F., Wittmann, S.K., Klingler, F.M., Brunst, S., Chaikuad, A., Morisseau, C., Hammock, B.D., Buccellati, C., Sala, A., Rovati, G.E., Leuillier, M., Fraineau, S., Rondeaux, J., Hernandez Olmos, V., Heering, J., Merk, D., Pogoryelov, D., Steinhilber, D., Knapp, S., Bellien, J., Proschak, E. (2019)
  Discovery of first in vivo active inhibitors of soluble epoxide hydrolase (sEH) phosphatase domain.
  J. Med. Chem. 62; 8443-8460.
• Hiesinger, K., Kramer, J.S., Achenbach, J., Moser, D., Weber, J., Wittmann, S.K., Morisseau, C., Angioni, C., Geisslinger, G., Kahnt, A.S., Kaiser, A., Proschak, A., Steinhilber, D., Pogoryelov, D., Wagner, K., Hammock, B.D., Proschak, E. (2019)
  Computer-Aided Selective Optimization of Side Activities of Talinolol.
  ACS Med. Chem. Lett. 10; 899-903.
• Chen, C., Kramer, J.S., Brunst, S., Proschak, E., Scriba, G.K.E. (2019)
  Capillary electrophoresis-based enzyme assays for β-lactamase enzymes.
  Electrophoresis, 40; 2375-2381.
• Göbel, T., Diehl, O., Wittmann, S.K., Merk, D., Angioni, C., Buscató, E., Kottke, R., Heering, J., Weizel, L., Schader, T., Maier, T.J., Geisslinger, G., Schubert-Zsilavecz, M., Steinhilber, D., Proschak, E., Kahnt, A.S. (2019)
  Zafirlukast is a dual modulator of human soluble epoxide hydrolase and PPARgamma.
  Front. Pharmacol. 10; 263. shared corresponding author
• König, S., Pace, S., Pein, H., Heinekamp, T., Kramer, J., Romp, E., Straßburger, M., Troisi, F., Proschak, A., Dworschak, J., Scherlach, K., Rossi, A., Sautebin, L., Haeggström, J.Z., Hertweck, C., Brakhage, A.A., Gerstmeier, J., Proschak, E., Werz, O. (2019)
  Gliotoxin from Aspergillus fumigatus abrogates leukotriene B4 formation through inhibition of leukotriene A4 hydrolase.
  Cell Chem Biol. 26; 524-534.
• Tietgen, M., Kramer, J., Brunst, S., Djahanschiri, B., Wohra, S., Higgins, P., Weidensdorfer, M., Christ, S., Pos, K.M., Gonzaga, A., Steglich, M., Nübel, U., Ebersberger, I., Proschak, E., Göttig, S. (2019)
  Identification of the novel class D β-lactamase OXA-679 involved in carbapenem resistance in Acinetobacter calcoaceticus.
  J. Antimicrob. Chemother. 74; 1494-1502.
• Pollinger, J., Gellrich, L., Schierle, S., Kilu, W., Schmidt, J., Kalinowsky, L., Ohrndorf, J., Kaiser, A., Heering, J., Proschak, E., Merk, D. (2019)
  Tuning nuclear receptor selectivity of Wy14,643 towards selective retinoid X receptor modulation.
  J. Med. Chem. 62; 2112-2126.
• Heitel, P., Gellrich, L., Kalinowsky, L., Heering, J., Kaiser, A., Ohrndorf, J., Proschak, E., Merk D. (2019)
  Computer-Assisted Discovery and Structural Optimization of a Novel Retinoid X Receptor Agonist Chemotype.
  ACS Med Chem Lett. 10; 203-208.

2018

• Heitel, P., Gellrich, L., Heering, J., Goebel, T., Kahnt, A., Proschak, E., Schubert-Zsilavecz, M., Merk D. (2018)
  Urate transporter inhibitor lesinurad is a selective peroxisome proliferator-activated receptor gamma modulator (sPPARγM) in vitro.
  Sci Rep. 8; 13554
• Hye Khan, M.A., Kolb, L., Skibba, M., Hartmann, M., Blöcher, R., Proschak, E., Imig, J.D. (2018)
  A novel dual PPAR-γ agonist/sEH inhibitor treats diabetic complications in a rat model of type 2 diabetes.
  Diabetologia 61; 2235-2246.
• Lukin, A., Kramer, J., Hartmann, M., Weizel, L., Hernandez-Olmos, V., Falahati, K., Burghardt, I., Kalinchenkova, N., Bagnyukova, D., Zhurilo, N., Rautio, J., Forsberg, M., Ihalainen, J., Auriola, S., Leppänen, J., Konstantinov, I., Pogoryelov, D., Proschak, E., Dar'in, D., Krasavin, M. (2018)
  Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase.
  Bioorg. Chem. 80; 655-667.
• Schierle, S., Flauaus, C., Heitel, P., Willems, S., Schmidt, J., Kaiser, A., Weizel, L., Goebel, T., Kahnt, A.S., Geisslinger, G., Steinhilber, D., Wurglics, M., Rovati, G.E., Schmidtko, A., Proschak, E., Merk D. (2018)
  Boosting Anti-Inflammatory Potency of Zafirlukast by Designed Polypharmacology.
  J Med Chem. 61; 5758-5764. shared corresponding author
• Gabler, M., Kramer, J., Schmidt, J., Pollinger, J., Weber, J., Kaiser, A.,Löhr, F., Proschak, E., Schubert-Zsilavecz, M., Merk, D. (2018)
  Allosteric modulation of the farnesoid X receptor by a small molecule.
  Sci. Rep. 8, 6846.
• Kappert, F., Sreeramulu, S., Jonker, H.R.A., Richter, C., Rogov, V.V., Proschak, E., Hargittay, B., Saxena, K., Schwalbe, H. (2018)
  Structural Characterization of the Interaction of the Fibroblast Growth Factor Receptor with a Small Molecule Allosteric Inhibitor.
  Chemistry – Eur. J. 24, 7861-7865.
• Blöcher, R., Wagner, K.M., Gopireddy, R.R., Harris, T.R., Wu, H., Barnych, B., Hwang, S.H., Xiang, Y.K., Proschak, E., Morisseau, C., Hammock, B.D. (2018)
  Orally available soluble epoxide hydrolase/phosphodiesterase 4 dual inhibitor treats inflammatory pain.
  J. Med. Chem. 61, 3541-3550.
• Kany, A.M., Sikandar, A., Haupenthal, J., Yahiaoui, S., Maurer, C.K., Proschak, E., Koehnke, J., Hartmann, R.W. (2018)
  Binding Mode Characterization and Early in vivo Evaluation of Fragment-like Thiols as Inhibitors of the Virulence Factor LasB from Pseudomonas aeruginosa.
  ACS Infect. Diseas. 4, 988-997.
• Reinheimer, C., Büttner, D., Proschak, E, Bode, H.B., Kempf, V.A.J., Wichelhaus, T.A.
  Anti-tubercular activity of a natural stilbene and its synthetic derivatives.
  GMS Infectious Diseases 6; ISSN 2195-8831
• Kramer, J., Désor, V., Brunst, S., Wittmann, S.K., Lausen, J., Heering, J., Proschak, A., Proschak, E.
  A coupled fluorescence-based assay for the detection of protein arginine N-methyltransferase 6 (PRMT6) enzymatic activity.
  Anal. Biochem. 547; 7-13
• Kalinowsky, L., Weber, J., Balasupramaniam, S., Baumann, K., Proschak, E.
  A Diverse Benchmark Based on 3D Matched Molecular Pairs for Validating Scoring Functions.
  ACS Omega 3 (5); 5704-5714
• Büttner D., Kramer J.S., Klingler F.M., Wittmann S.K., Hartmann M.R., Kurz C.G., Kohnhäuser D., Weizel L., Brüggerhoff A., Frank D., Steinhilber D., Wichelhaus T.A., Pogoryelov D., Proschak E.
  Challenges in the Development of a Thiol-Based Broad-Spectrum Inhibitor for Metallo-β-Lactamases.
  ACS Infect Dis. 4(3); 360-372
• Proschak, A., Kramer, J., Proschak, E., Wichelhaus, T.A.
  Bacterial zincophore [S,S]-ethylenediamine-N,N'-disuccinic acid is an effective inhibitor of metallo-β-lactamases.
  J. Antimicrob. Chemother. 73; 425-430

2017

• Hosseini, S.K., Hauck, S., Steiner, M., von Manstein, V., Gerlach, K., Trojan, J., Waidmann, O., Schulze, J.O., Hahn, S., Steinhilber, D., Gatterdam, V., Tampé, R., Biondi, R.M., Proschak, E., Zörnig, M.
  Camptothecin and its homolog SN-38, the active metabolite of irinotecan, inhibit binding of the transcriptional regulator and oncoprotein FUBP1 to its DNA target sequence FUSE.
  Biochem. Pharmacol. 146; 53-62
• Schmidt, J., Rotter, M., Weiser, T., Wittmann, S.W., Weizel. L., Kaiser, A., Heering, J., Goebel, T., Angioni, C., Wurglics, M., Paulke, A., Geisslinger, G., Kahnt, A., Steinhilber, D., Proschak, E., Merk, D.
  A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis.
  J. Med. Chem. 60; 7703-7724
• Bautista-Aguilera, O.M., Hagenow, S., Palomino-Antolin, A., Farré-Alins, V., Ismaili, L., Joffrin, P-L., Jimeno, M.L., Soukup, O., Janočková, J., Kalinowsky, L., Proschak, E., Iriepa, I., Moraleda, I., Schwed, J.S., Martínez, A.R., López-Muñoz, F., Chioua, M., Egea, J., Ramsay, R.R., Marco-Contelles, J., Stark, H.
  Multitarget-Directed Ligands Combining Cholinesterase and Monoamine Oxidase Inhibition with Histamine H3R Antagonism for Neurodegenerative Diseases.
  Angew. Chem. Int. Ed. 56; 12765-12769
• Flesch, D., Cheung, S.Y., Schmidt, J., Gabler, M., Heitel, P., Kramer, J.S., Kaiser, A., Hartmann, M., Lindner, M., Lüddens-Dämgen, K., Heering, J., Lamers, C., Lüddens, H., Wurglics, M., Proschak, E., Schubert-Zsilavecz, M., Merk, D.
  Non-acidic farnesoid X receptor modulators.
  J. Med. Chem. 60; 7199-7205
• Roos, J., Peters, M., Maucher, I.V., Kühn, B., Fettel, J., Hellmuth, N., Brat, C., Sommer, B., Urbschat, A., Piesche, M., Vogel, A., Proschak, E., Blöcher, R., Buscato, E., Häfner, A.K., Matrone, C., Werz, O., Heidler, J., Wittig, I., Angioni, C., Geisslinger, G., Parnham, M.J., Zacharowski, K., Steinhilber, D., Maier, T.J.
  Drug-mediated intracellular donation of nitric oxide potently inhibits 5-lipoxygenase: a possible key to future anti-leukotriene therapy.
  Antioxid Redox Signal. 00; 1-21
• Kramer, J., Proschak, E.
  Phosphatase activity of soluble epoxide hydrolase.
  Prostaglandins Other Lipid Mediat. 133; 88-92
• Proschak, E., Kalinowsky, L., Heitel, P., Merk, D.
  Opportunities and Challenges for Fatty Acid Mimetics in Drug Discovery.
  J. Med. Chem. 60; 5235-5266
• Heitel, P., Achenbach, J., Moser, D., Proschak, E., Merk, D.
  DrugBank screening revealed alitretinoin and bexarotene as liver X receptor modulators.
  Med. Chem. Lett. 27; 1193-1198

2016

• Meirer, K., Glatzel, D., Kretschmer, S., Wittmann, S.K., Hartmann, M., Blöcher, R., Angioni, C., Geisslinger, G., Steinhilber, D., Hofmann, B., Fürst, R., Proschak, E.
  Design, Synthesis and Cellular Characterization of a Dual Inhibitor of 5-Lipoxygenase and Soluble Epoxide Hydrolase.
  Molecules 22; 45
• Hauck, S., Hiesinger, K., Khageh Hosseini, S., Achenbach, J., Biondi, R.M., Proschak, E., Zörnig, M., Odadzic, D.
  Pyrazolo[1,5a]pyrimidines as a new class of FUSE binding protein 1 (FUBP1) inhibitors.
  Bioorg. Med. Chem. 24; 5717-5729
• Wittmann S. K., Kalinowsky L., Kramer J. S., Bloecher R., Knapp S., Steinhilber D., Pogoryelov D., Proschak E., Heering J.
  Thermodynamic properties of leukotriene A4 hydrolase inhibitors.
  Bioorg. Med. Chem. 24; 5243-5248
• Blöcher, R., Lamers, C., Wittmann, S. K., Diehl, O., Hanke, T., Merk, D., Steinhilber, D., Schubert-Zsilavecz, M., Kahnt, A. S., Proschak, E.
  Design and synthesis of fused soluble epoxide hydrolase/peroxisome proliferator-activated receptor modulators.
  Med. Chem. Comm. 7; 1209-1216
• Klingler, F.-M., Wolf, M., Wittmann, S.K., Gribbon, P., Proschak, E.
  Bacterial Expression and HTS assessment of soluble Epoxide Hydrolase Phosphatase.
  J. Biomol. Screen. 21; 689-694
• Paulke, A., Proschak, E., Sommer, K., Achenbach, J., Wunder, C., Toennes, S.W.
  Synthetic cannabinoids: In silico prediction of the cannabinoid receptor 1 affinity by a quantitative structure-activity relationship model.
  Toxicol. Lett. 245; 1-6
• Blöcher R., Lamers C., Wittmann S.K., Merk D.P., Hartmann M., Weizel L., Diehl O., Brüggerhof A., Boß M., Kaiser A., Schader T., Göbel T., Grundmann M., Angioni C., Heering J., Geisslinger G., Wurglics M., Kostenis E., Brüne B., Steinhilber D., Schubert-Zsilavecz M., Kahnt A.S., Proschak E.
  N-Benzylbenzamides: a novel merged scaffold for orally available dual soluble epoxide hydrolase / peroxisome proliferator-activated receptor γ modulators.
  J. Med. Chem. 59 (1); 61-81

2015

• Klingler, F.-M., Moser, D., Büttner, D., Wichelhaus, T.A., Löhr, F., Dötsch, V., Proschak, E.
  Probing Metallo-β-lactamases with molecular fragments identified by consensus docking.
  Bioorg. Med. Chem. Lett. 25; 5243-5246
• Schmidt, J., Klingler, F.-M., Bamberg, K., Steinhilber, D., Schubert-Zsilavecz, M., Merk, D.
  NSAIDs ibuprofen, indometacin, and diclofenac do not interact with farnesoid X receptor.
  Sci Rep. 5; 14782
• Lehmann, C., Homann, J., Ball, A.K., Blöcher, R., Kleinschmidt, T.K., Basavarajappa, D., Angioni, C., Ferreirós, N., Häfner, A.K., Rådmark, O., Proschak, E., Haeggström, J.Z., Geisslinger, G., Parnham, M.J., Steinhilber, D., Kahnt, A.S.
  Lipoxin and resolvin biosynthesis is dependent on 5-lipoxygenase activating protein.
  FASEB J. ePub
• Klingler, F.-M., Wichelhaus, T.A., Frank, D., Cuesta-Bernal, J., El-Delik, J., Müller, H.F., Sjuts, H., Göttig, S., Koenigs, A., Pos, K.M., Pogoryelov, D., Proschak, E.
  Approved Drugs Containing Thiols as Inhibitors of Metallo-β-lactamases: Strategy To Combat Multidrug-Resistant Bacteria.
  J. Med. Chem. 58; 3626-3630
• Knape, T., Flesch, D., Kuchler, L., Sha, L.K., Giegerich, A.K., Labocha, S.,Ferreirós, N., Schmid, T., Wurglics, M., Schubert-Zsilavecz, M., Proschak, E., Brüne, B., Parnham, M.J., von Knethen, A.
  Identification and characterisation of a prototype for a new class of competitive PPARγ antagonists.
  Eur. J. Pharmacol. 755; 16-26
• Weber, J., Achenbach, J., Moser, D., Proschak, E.
  VAMMPIRE-LORD: a web server for straightforward lead optimization using matched molecular pairs.
  J. Chem Inf. Model. 55; 207-213
• Moser, D., Wittmann, S.K., Kramer, J., Blöcher, R., Achenbach, J., Pogoryelov, D., Proschak, E.
  PENG: a neural gas-based approach for pharmacophore elucidation. method design, validation, and virtual screening for novel ligands of LTA4H.
  J. Chem Inf. Model. 55; 248-293
• Merk, D., Lamers, C., Weber, D., Flesch, D., Proschak, E., Schubert-Zsilavecz, M.
  Anthranilic acid derivatives as nuclear receptor modulators — Development of novel PPAR selective and dual PPAR/FXR ligands.
  Bioorg. Med. Chem. 23; 499-513

2014

• Carrasco-Gomez, R., Keppner-Witter, S., Hieke, M., Lange, L., Schneider, G., Schubert-Zsilavecz, M., Proschak, E., Spänkuch, B.
  Vanillin-derived antiproliferative compounds influence Plk1 activity.
  Bioorg. Med. Chem. Lett. 24; 5063-5069
• Vogt, D., Weber ,J., Ihlefeld, K., Brüggerhoff, A., Proschak, E., Stark, H.
  Design, synthesis and evaluation of 2-aminothiazole derivatives as sphingosine kinase inhibitors.
  Bioorg. Med. Chem. 22; 5354-5367
• Roos, J., Oancea, C., Heinssmann, M., Khan, D., Held, H., Kahnt, A.S., Capelo, R., Buscató, E., Proschak, E., Puccetti, E., Steinhilber, D., Fleming, I., Maier, T.J., Ruthardt, M.
  5-lipoxygenase is a candidate target for therapeutic management of stem cell-like cells in acute myeloid leukemia.
  Cancer Res. 74; 5244-5255
• Rödl, C.B., Vogt, D., Kretschmer, S.B., Ihlefeld, K., Barzen, S., Brüggerhoff, A., Achenbach, J., Proschak, E., Steinhilber, D., Stark, H., Hofmann, B.
  Multi-dimensional target profiling of N,4-diaryl-1,3-thiazole-2-amines as potent inhibitors of eicosanoid metabolism.
  Eur. J. Med. Chem. 84; 302-311
• Lamers, C., Dittrich, M., Steri, R., Proschak, E., Schubert-Zsilavecz, M.
  Molecular determinants for improved activity at PPARa: structure-activity relationship of pirinixic acid derivatives, docking study and site-directed mutagenesis of PPARa.
  Bioorg. Med. Chem. Lett. 24; 4048-4052
• Kolodziej, S., Kuvardina, O.N., Oellerich, T., Herglotz, J., Backert, I., Buscató, E., Wittmann, S.K., Salinas-Riester, G., Bonig, H., Karas, M., Serve, H., Proschak, E., Lausen, J.
  PADI4 acts as a coactivator of Tal1 by counteracting repressive histone arginine methylation.
  Nature Commun. 5; 3995
• Zhang, H., Neimanis, S., Lopez-Garcia, L.A., Arencibia, J.M., Amon, S., Stroba, A., Zeuzem, S., Proschak, E., Stark, H., Bauer, AF., Busschots, K., Jørgensen, T.J.D., Engel, M., Schulze, J.O., Biondi, R.M.
  Molecular mechanism of regulation of the atypical protein kinase C (aPKC) by N-terminal Domains and an Allosteric Small Compound.
  Chem. Biol. 21; 754-765
• Meirer, K., Steinhilber, D., Proschak, E. 
  Inhibitors of the Arachidonic Acid Cascade: Interfering with Multiple Pathways.
  Basic Clin Pharmacol Toxicol. 114; 83-91.
• Proschak, A., Zhou, Q., Schöner, T., Thanwisai, A., Kresovic, D., Dowling, A., ffrench- Constant, R., Proschak, E., Bode, H.B.
  Biosynthesis of the Insecticidal Xenocyloins in Xenorhabdus bovienii.
  ChemBioChem 15; 369-372

2013

• Achenbach, J., Klingler, F.-M., Blöcher, R., Moser, D., Häfner, A.-K. Rödl, S., Kretschmer, S., Krüger, S., Löhr, F., Stark, H., Hofmann, B., Steinhilber, D., Proschak, E.
  Exploring the chemical space of multi-target ligands using aligned self-organizing maps.
  ACS Med. Chem. Lett., 4; 1169–1172
• Hanke, T., Rörsch, F., Thieme, T., Buozas, N.F., Schneider, G., Geisslinger, G., Proschak, E., Grösch, S., Schubert-Zsilavecz, M.
  Synthesis and pharmacological characterization of benzenesulfonamides as novel dual species inhibitors of human and murine mPGES-1.
  Bioorg. Med. Chem. 21; 7874-7883
• Proschak, E.
  Reconsidering the drug discovery pipeline for designed multitarget drugs.
  Drug Discov. Today, 18; 1129–1130
• Weber, J., Achenbach, J., Moser, D., Proschak, E.,
  VAMMPIRE: a matched molecular pairs database for structure-based drug design and optimization
  J. Med. Chem. 56; 5203-5207
• Paulke, A., Kremer, C., Wunder, C., Achenbach, J., Djahanschiri, B., Elias, A., J. Schwed, S., Hübner, H., Gmeiner, P., Proschak, E., Toennes, S.W., Stark, H.
  Argyreia nervosa (Burm. f.): Receptor profiling of Lysergic acid amide and other potential psychedelic LSD-like compounds by computational and binding assay approaches.
  J. Ethnopharmacol. J. Ethnopharmacol. 148; 492-497
• Achenbach, A., Gabler, M., Steri, R., Schubert-Zsilavecz, M., Proschak, E.
  Identification of novel farnesoid X receptor modulators using a combined ligand- and structure-based virtual screening.
  MedChemComm, 4; 920-924
• Buscató, E., Büttner, D., Brüggerhoff, A., Klingler, F.-M., Weber, J., Scholz,B., Živković, A., Marschalek, R., Stark, H., Steinhilber, D., Bode H.B., Proschak, E.
  From a Multipotent Stilbene to Soluble Epoxide Hydrolase Inhibitors with Antiproliferative Properties.
  ChemMedChem, 8; 919-923
• Buscató, E., Wisniewska, J.M., Rödl, C., Brüggerhof, A., Kaiser, A., Rörsch, F., Kostewicz, E., Wurglics, M., Schubert-Zsilavecz, M., Grösch, S., Steinhilber, D., Hofmann, B., Proschak, E.
  Structure-activity relationship and in vitro pharmacological evaluation of imidazo[1,2-a]pyridine-based inhibitors of 5-lipoxygenase.
  Future Med. Chem., 5; 865-880
• Meirer, K., Rödl, C.B., Wisniewska, J.M., George, S., Häfner, A-K., Buscató, E., Klingler, F-M., Hahn, S., Berressem, D., Wittmann, S.K., Steinhilber, D., Hofmann, B., Proschak, E.
  Synthesis and Structure Activity Relationship Studies of Novel Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase.
  J. Med. Chem. 56; 1777–1781
• Tanrikulu, Y., Krüger, B., Proschak, E.
  The holistic integration of virtual screening in drug discovery.
  Drug Discov. Today, 18; 358-364

2012

2011