Publications

Jalencas, X; Berg, H.; Espeland. L. O.; Sreeramulu, S.; Kinnen, F.; Richter, C.; Georgiou, C.; Yadrykhinsky, V.; Specker, E.; Jaudzems, K.; Miletić, T.; Harmel, R.; Gribbon, P.; Schwalbe, H.; Brenk, R.; Jirgensons, A.; Zaliani, A; Mestres, J., Design, quality and validation of the EUOPENSCREEN fragment library poised to a highthroughput screening collection. RSC Med. Chem., 2024, 

Yan, S.; Schöpe, P. C.; Lewis, J.; Putzker, K.; Uhrig, U.; Specker, E.; von Kries, J. P.; Lindemann, P.; Omran, A.; Sanchez-Ibarra, H. E.; Unger, A.; Zischinsky, M.-L.; Klebl, B.; Walther, W.; Nazaré, M.; Kobelt, D.; Stein, U., Discovery of tetrazolo-pyridazine-based small molecules as inhibitors of MACC1-driven cancer metastasis. Biomedicine & Pharmacotherapy 2023, 168, 115698. doi.org/10.1016/j.biopha.2023.115698

Specker, E.; Wesolowski, R.; Schütz, A.; Matthes, S.; Mallow, K.; Wasinska-Kalwa, M.; Winkler, L.; Oder, A.; Alenina, N.; Pleimes, D.; von Kries, J. P.; Heinemann, U.; Bader, M.; Nazaré, M., Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors. J. Med. Chem. 2023, 66, 14866-14896. doi.org/10.1021/acs.jmedchem.3c01454

Kücükdisli, M.; Bel-Abed, H.; Cirillo, D.; Lo, W.-T.; Efrém, N.-L.; Horatscheck, A.; Perepelittchenko, L.; Prokofeva, P.; Ehret, T. A. L.; Radetzki, S.; Neuenschwander, M.; Specker, E.; Médard, G.; Müller, S.; Wilhelm, S.; Kuster, B.; von Kries, J. P.; Haucke, V.; Nazaré, M., Structural Basis for Highly Selective Class II Alpha Phosphoinositide-3-Kinase Inhibition, J Med. Chem. 2023, 66, 14278-14302. doi.org/10.1021/acs.jmedchem.3c01319

J.L. Gorenflos López, G.L. Dornan, N. Boback, M. Neuenschwander, A. Oder, K. Kemnitz-Hassanin, P. Schmieder, E. Specker, H.C. Asikoglu, C. Oberdanner, C. Seyffarth, J.P. von Kries,  D. Lauster, S. Hinderlich, C.P.R. Hackenberger, Small Molecules Targeting Human UDP-GlcNAc 2-Epimerase (selected as VIP paper), ChemBioChem 2023, e202300555, https://doi.org/10.1002/cbic.202300555

Jordan, P.; Costa, A.; Specker, E.; Popp, O.; Volkamer, A.; Piske, R.; Obrusnik, T.; Kleissle, S.; Stuke, K.; Rex, A.; Neuenschwander, M.; von Kries, J. P.; Nazare, M.; Mertins, P.; Kettenmann, H.; Wolf, S. A., Small molecule inhibiting microglial nitric oxide release could become a potential treatment for neuroinflammation. PLOS ONE 2023, 18, e0278325. doi.org/10.1371/journal.pone.0278325

M. I. Fernandez-Bachiller, S. Hwang, M. E. Schembri, P. Lindemann, M. Guberman, S. Herziger, E. Specker, H. Matter, D. W. Hill, J. Czech, M. Wagner, A. Bauer, H. Schreuder, K. Ritter, M. Urmann, V. Wehner, H. Sun, M. Nazaré, Probing Factor Xa Protein-Ligand Interactions: Accurate Free Energy Calculations and Experimental Validations of Two Series of High-Affinity Ligands. J. Med.Chem. 2022, 65, 13013-13028. doi.org/10.1021/acs.jmedchem.2c00865

E. Specker, S. Matthes, R. Wesolowski, A. Schütz, M. Grohmann, N. Alenina, D. Pleimes, K. Mallow, M. Neuenschwander, A. Gogolin, M. Weise, J. Pfeifer, N. Ziebart, U. Heinemann, J. P. von Kries, M. Nazaré, M. Bader, Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors, J. Med. Chem, 2022,  65, 16, 11126-11149. doi/10.1021/acs.jmedchem.2c00598

D. M. Carter, E. Specker, P. H. Malecki, J. Przygodda, K. Dudaniec, M. S. Weiss, U. Heinemann, M. Nazaré, U. Gohlke, Enhanced Properties of a Benzimidazole Benzylpyrazole Lysine Demethylase Inhibitor: Mechanism-of-Action, Binding Site Analysis, and Activity in Cellular Models of Prostate Cancer, J. Med. Chem. 2021, 64, 14266-14282.doi.org/10.1021/acs.jmedchem.1c00693

H. Bonnekoh, C. Vera, A. Abad-Perez, S. Radetzki, M. Neuenschwander, E. Specker, N. A. Mahnke, S. Frischbutter, E. Latz, M. Nazaré, J. P. von Kries, M. Maurer, J. Scheffel, K. Krause, Topical inflammasome inhibition with disulfiram prevents irritant contact dermatitis, Clin. Transl. Allergy 2021, e12045. doi.org/10.1002/clt2.12045

2020

S. Sreeamulu, C. Richter, T. Kühn, K. Azzaoui, M. J. J. Blommers, R. Del Conte, M. Fragai, N. Trieloff, P. Schmieder, M. Nazaré, E. Specker, V. Ivanov, H. Oschkinat, L. Banci, H. Schwalbe, NMR quality control of fragment libraries for screening. J. Biomol. NMR 2020, 74, 555-563.

2019

I. Plastira, L. Joshi, E. Bernhart, J. Schöne, E. Specker, M. Nazaré, W. Sattler, Small-Molecule Lysophosphatidic Acid Receptor 5 (LPAR5) Antagonists: Versatile Pharmacological Tools to Regulate Inflammatory Signaling in BV-2 Microglia Cells. Front. Cell. Neurosci. 2019, 13, 531. doi.org/10.3389/fncel.2019.00531

P. Brennecke, D. Rasina, O. Aubi, K. Herzog, J. Landskron, B. Cautain, F. Vicente, J. Quintana, J. Mestres, B. Stechmann, B. Ellinger, J. Brea, J. L. Kolanowski, R. Pilarski, M. Orzaez, A. Pineda-Lucena, L. Laraia, F. Nami, P. Zielenkiewicz, K. Paruch, E. Hansen, J. P. von Kries, M. Neuenschwander, E. Specker, P. Bartunek, S. Simova, Z. Lesnikowski, S. Krauss, L. Lehtiö, U. Bilitewski, M. Brönstrup, K. Taskén, K. Jirgensons, H. Lickert, M. H. Clausen, J. H. Andersen, M. J. Vicent, O. Genilloud, A. Martinez, M. Nazaré, W. Fecke, P. Gribbon, EU-OPENSCREEN: A Novel Collaborative Approach to Facilitate Chemical Biology. SLAS Discov. 2019, 24, 398-413.

P. Marcinkowski, I. Hoyer, E. Specker, J. Furkert, C. Rutz, M. Neuenschwander, S. Sobottka, H. Sun, M. Nazaré, U. Berchner-Pfannschmidt, J. P. von Kries, A. Eckstein, G. Krause, A new highly thyrotropin receptor-selective antagonist towards Graves`orbitopathy, Thyroid 2019, 29, 111-123.

2018

J. Schulze, H. Baukmann, R. Wawrzinek, F. F. Fuchsberger, E. Specker, J. Aretz, M. Nazare, C. Rademacher, CellFy: A cell-based fragment screen against C-type lectins. ACS Chem. Biol.2018, 13, 3229-3235.

W. Klein, C. Rutz, M. Neuenschwander, B. Provinciael, E. Specker, J. Eckhard, G. Kleinau, P. Scheerer. J. P. von Kries, M. Nazaré, K. Vermeire, R. Schülein, Identification of novel inhibitors for the eucaryotic Sec translocon pathway using a sequential high throughput screening assay, PLoS ONE 2018, 13, e0208641. 

M. Bader, E. Specker, S. Matthes, A. Schütz, K. Mallow, M. Grohmann, M. Nazaré, Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same, 2018, WO2018019917.

2017

M. Juneja, D. Kobelt, W. Walther, C. Voss, J. Smith, E. Specker, M. Neuenschwander, B.O. Gohlke, M. Dahlmann, S. Radetzki, R. Preissner, J.P. von Kries, P. M. Schlag, U. Stein, Statin and rottlerin small-molecule inhibitors restrict colon cancer progression and metastasis via MACC1, Plos Biol. 2017, 15, 4-28.

D. M. Carter, E. Specker, J. Przygodda, M. Neuenschwander, J. P. von Kries, U. Heinemann, M. Nazaré, U. Gohlke, Identification of a novel benzimidazole pyrazolone scaffold that inhibits KDM4 lysine demethylases and reduces proliferation of prostate cancer cells, J. of Molecular Screening, 2017, 22, 801-812.

C. Wetzel, S. Pifferi, C. Picci, C. Gök, D. Hoffmann, K. K Bali, A. Lampe, L. Lapatsina, R. Fleischer, E. St. John Smith, V. Bégay, M. Moroni, L. Estebanez, J. Kühnemund, J. Walcher, E. Specker, M. Neuenschwander, J. P. von Kries, V. Haucke, R. Kuner, J. F. A. Poulet, J. Schmoranzer, K. Poole & G. R. Lewin, Small-molecule inhibition of STOML3 oligomerization reverses pathological mechanical hypersensitivity, Nature Neuroscience, 2017, 20, 209-218

2016

M-A. Geigern, M. Orwick-Rydmark, K. Märker, W. T. Franks, D. Akhmetzyanov, D. Stöppler, M. Zinke, E. Specker, M. Nazaré, A. Diehl, B.-J. van Rossum, F. Aussenac, T. Prisner, Ü. Akbey and H. Oschkinat, Temperature dependence of cross-effect dynamic nuclear polarization in rotating solids: advantages of elevated temperatures, Physical Chemistry Chemical Physics, 2016, 18, 30696-30704.

L. Fang, Q. Zhu, M. Neuenschwander, E. Specker, A. Wulf-Goldenberg, W. I. Weis, J. P. von Kries, W. Birchmeier,  A Small-Molecule Antagonist of the β-Catenin/TCF4 Interaction Blocks the Self-Renewal of Cancer Stem Cells and Suppresses Tumorigenesis, Cancer Research, 2016, 76, 891-901.

M. Bader, E. Specker, S. Matthes, A. Schütz, K. Mallow, M. Grohmann, M. Nazaré, Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same, 2016, WO2016135199A1

J. Du, M. Neuenschwander, Y. Yu, J. H. M. Däbritz, N.-R. Neuendorff, K. Schleich, A. Bittner, M. Milanovic, G. Beuster, S. Radetzki, E. Specker, M. Reimann, F. Rosenbauer, S. Mathas, P. Lohneis, M. Hummel, B. Dörken, J.-P. von Kries, S. Lee and C. A. Schmitt, Pharmacological restoration and therapeutic targeting of the B-cell phenotype in classical Hodgkin's lymphoma, Blood, 2016, 02-700773.

2014

F. Wilde, E. Specker, M. Neuenschwander, M. Nazaré, A. Bodtke, A. Link, Tractable synthesis of multipurpose screening compounds with under-represented molecular features for an open access screening platform. Mol. Divers., 2014, 18, 483-495.

D. Horvath, M. Lisurek, B. Rupp, R. Kühne, E. Specker, J. von Kries, D. Rognan, C. D. Andersson, F. Almqvist, M. Elofsson, P.-A. Enqvist, A.-L. Gustavsson, N. Remez, J. Mestres, G. Marcou, A. Varnek, M. Hibert, J. Quintana, R. Frank, Design of a General-Purpose European Compound Screening Library for EU-OPENSCREEN. ChemMedChem, 2014, 10, 2309-2326

2013

P. Schmieder, F. Nitschke, M. Steup, K. Mallow, E. Specker, Determination of glucane phosphorylation using heteronuclear ¹H, ¹³C double and ¹H, ¹³C, ³¹P triple –resonance NMR spectra, Magnetic Resonance in Chemistry, 2013, 10, 655-661.

2012

C. Kamper, K. Korpis, E. Specker, L. Anger, M. Neuenschwander, P. J. Bednarski, A. Link, Sustainable synthesis and automated deposition: an accessible discovery screening library of fragment-like purines. Mol. Divers.2012, 16, 541-551.

A. Linden, S. Lange, W. Franks, Ü. Akbey, E. Specker, B.-H. van Rossum, H. Oschkinat, Neurotoxin II Bound to Ach-Receptors in Native Membranes Studied by Dynamic Polarization NMR,  JACS, 2011, 48, 19266-19269.

F. Osterkamp, H. Hawlisch, G. Hummel, T. Knaute, U. Reimer, U. Reineke, U. Richter, S. Bernadett, E. Specker, M. Woischnik, M. R. Hellberg, Novel NPRB- Agonists and Methods of Use for the Treatment C-Type Natiuretic Peptide-Mediated Disorders, Alcon Research, LTD, 2011, WO 2011/075 471.

F. Osterkamp, H. Hawlisch, G. Hummel, T. Knaute, U. Reimer, U. Reineke, U. Richter, S. Bernadett, E. Specker, M. Woischnik, M. R. Hellberg, Novel NPRB- Agonists, Alcon Research, LTD, 2011, WO 2011/038 061.

E. Specker, Book Review, Aspartic Acid Proteases as Therapeutic Targets. Edited by Arun K. Ghosh, ChemMedChem. 2011, 6, 1130.

2007

K. Oertel, A. Hunfeld, E. Specker, C. Reiff, R. Seitz, R. Pasternack, J. Dodt, A highly sensitive fluorometric assay for determination of human coagulation factor XIII in plasma, Analytical biochemistry, 2007, 367, 152-158.

2006

E. Specker, J. Böttcher, S. Brass, A. Heine, H. Lilie, A. Schoop, G. Müller, N. Griebenow, G. Klebe, Unexpected Novel Binding Mode of Pyrrolidine-based Aspartyl Protease Inhibitors: Design, Synthesis and Crystal Structure with HIV- Protease. ChemMedChem. 2006, 1, 106-117.

2005

L. Bialy, J. J. Díaz-Mochón, E. Specker, L. Keinecke, M. Bradley, Synthesis of PNA-peptide Conjugates using Novel Dde/Mmt PNA Monomers. Tetrahedron, 2005, 61, 8295-8305.

E. Specker, J. Böttcher, A. Heine, C. Sotriffer, H. Lilie, A. Schoop, G. Müller, N. Griebenow, G. Klebe, Hydroxyethylenesulfones as a New Scaffold to Address Aspartic Proteases: Design, Synthesis and Structural Characterization. J. Med. Chem. 2005,48, 6607-6619.