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Probing Factor Xa Protein-Ligand Interactions: Accurate Free Energy Calculations and Experimental Validations of Two Series of High-Affinity Ligands.
Fernández-Bachiller MI, Hwang S, Schembri ME, Lindemann P, Guberman M, Herziger S, Specker E, Matter H, Will DW, Czech J, Wagner M, Bauer A, Schreuder H, Ritter K, Urmann M, Wehner V, Sun H, Nazaré M. Fernández-Bachiller MI, et al. Among authors: specker e. J Med Chem. 2022 Oct 13;65(19):13013-13028. doi: 10.1021/acs.jmedchem.2c00865. Epub 2022 Sep 30. J Med Chem. 2022. PMID: 36178213
A New Highly Thyrotropin Receptor-Selective Small-Molecule Antagonist with Potential for the Treatment of Graves' Orbitopathy.
Marcinkowski P, Hoyer I, Specker E, Furkert J, Rutz C, Neuenschwander M, Sobottka S, Sun H, Nazare M, Berchner-Pfannschmidt U, von Kries JP, Eckstein A, Schülein R, Krause G. Marcinkowski P, et al. Among authors: specker e. Thyroid. 2019 Jan;29(1):111-123. doi: 10.1089/thy.2018.0349. Epub 2018 Dec 15. Thyroid. 2019. PMID: 30351237
CellFy: A Cell-Based Fragment Screen against C-Type Lectins.
Schulze J, Baukmann H, Wawrzinek R, Fuchsberger FF, Specker E, Aretz J, Nazaré M, Rademacher C. Schulze J, et al. Among authors: specker e. ACS Chem Biol. 2018 Dec 21;13(12):3229-3235. doi: 10.1021/acschembio.8b00875. Epub 2018 Dec 3. ACS Chem Biol. 2018. PMID: 30480432
Enhanced Properties of a Benzimidazole Benzylpyrazole Lysine Demethylase Inhibitor: Mechanism-of-Action, Binding Site Analysis, and Activity in Cellular Models of Prostate Cancer.
Carter DM, Specker E, Małecki PH, Przygodda J, Dudaniec K, Weiss MS, Heinemann U, Nazaré M, Gohlke U. Carter DM, et al. Among authors: specker e. J Med Chem. 2021 Oct 14;64(19):14266-14282. doi: 10.1021/acs.jmedchem.1c00693. Epub 2021 Sep 23. J Med Chem. 2021. PMID: 34555281 Free article.
Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
Specker E, Matthes S, Wesolowski R, Schütz A, Grohmann M, Alenina N, Pleimes D, Mallow K, Neuenschwander M, Gogolin A, Weise M, Pfeifer J, Ziebart N, Heinemann U, von Kries JP, Nazaré M, Bader M. Specker E, et al. J Med Chem. 2022 Aug 25;65(16):11126-11149. doi: 10.1021/acs.jmedchem.2c00598. Epub 2022 Aug 3. J Med Chem. 2022. PMID: 35921615
Structural Basis for Highly Selective Class II Alpha Phosphoinositide-3-Kinase Inhibition.
Kücükdisli M, Bel-Abed H, Cirillo D, Lo WT, Efrém NL, Horatscheck A, Perepelittchenko L, Prokofeva P, Ehret TAL, Radetzki S, Neuenschwander M, Specker E, Médard G, Müller S, Wilhelm S, Kuster B, von Kries JP, Haucke V, Nazaré M. Kücükdisli M, et al. Among authors: specker e. J Med Chem. 2023 Oct 26;66(20):14278-14302. doi: 10.1021/acs.jmedchem.3c01319. Epub 2023 Oct 11. J Med Chem. 2023. PMID: 37819647
Discovery of tetrazolo-pyridazine-based small molecules as inhibitors of MACC1-driven cancer metastasis.
Yan S, Schöpe PC, Lewis J, Putzker K, Uhrig U, Specker E, von Kries JP, Lindemann P, Omran A, Sanchez-Ibarra HE, Unger A, Zischinsky ML, Klebl B, Walther W, Nazaré M, Kobelt D, Stein U. Yan S, et al. Among authors: specker e. Biomed Pharmacother. 2023 Dec;168:115698. doi: 10.1016/j.biopha.2023.115698. Epub 2023 Oct 21. Biomed Pharmacother. 2023. PMID: 37865992 Free article.
52 results