Joseph, E.K.* ; Kunze, L.H.* ; Schaefer, R.* ; Palumbo, G.* ; Kugelmann, B.* ; Wagner, S.* ; Lammich, S.* ; Feederle, R. ; Willem, M.* ; Werner, R.A.* ; Brendel, M.* ; Lindner, S.*
Design, synthesis and preclinical evaluation of a brain-permeable PET tracer for P2Y12 receptor imaging in the brain.
J. Med. Chem. 68, 15543-15562 (2025)
Falke, S.* ; Lieske, J.* ; Herrmann, A. ; Loboda, J.* ; Karničar, K.* ; Günther, S.* ; Reinke, P.Y.A.* ; Ewert, W.* ; Usenik, A.* ; Lindič, N.* ; Sekirnik, A.* ; Dretnik, K.* ; Tsuge, H.* ; Turk, V.* ; Chapman, H.N.* ; Hinrichs, W.* ; Ebert, G. ; Turk, D.* ; Meents, A.*
Structural elucidation and antiviral activity of covalent cathepsin L inhibitors.
J. Med. Chem. 67, 7048-7067 (2024)
Grygier, P.* ; Pustelny, K.* ; Nowak, J.* ; Golik, P.* ; Popowicz, G.M. ; Plettenburg, O. ; Dubin, G.* ; Cardoso Micu Menezes, F.M. ; Czarna, A.*
Silmitasertib (CX-4945), a clinically used CK2-kinase inhibitor with additional effects on GSK3β and DYRK1A kinases: A structural perspective.
J. Med. Chem. 66, 4009-4024 (2023)
Kitel, R.* ; Surmiak, E.* ; Borggräfe, J. ; Kalinowska-Tluscik, J.* ; Golik, P.* ; Czub, M.* ; Uzar, W.* ; Musielak, B.* ; Madej, M.G.* ; Popowicz, G.M. ; Dubin, G.* ; Holak, T.A.*
Discovery of inhibitory fragments that selectively target spire2-FMN2 interaction.
J. Med. Chem. 66, 15715-15727 (2023)
Narayanan, D.* ; Tran, K.T.* ; Pallesen, J.S.* ; Solbak, S.M.* ; Qin, Y.* ; Mukminova, E.* ; Luchini, M.* ; Vasilyeva, K.O.* ; González Chichón, D.* ; Goutsiou, G.* ; Poulsen, C.* ; Haapanen, N.* ; Popowicz, G.M. ; Sattler, M. ; Olagnier, D.* ; Gajhede, M.* ; Bach, A.*
Development of noncovalent small-molecule Keap1-Nrf2 inhibitors by fragment-based drug discovery.
J. Med. Chem. 65, 14481-14526 (2022)
Hofmeister, A.* ; Jahn-Hofmann, K.* ; Brunner, B.* ; Helms, M.W.* ; Metz-Weidmann, C.* ; Krack, A.* ; Kurz, M.* ; Li, Z.* ; Weitzenberg, M.M. ; Pflimlin, E.* ; Plettenburg, O. ; Scheidler, S.*
Syntheses of morpholine-based nucleotide analogs for hepatic siRNA targeting and stabilization.
J. Med. Chem. 64, 6838–6855 (2021)
Pallesen, J.S.* ; Narayanan, D.* ; Tran, K.T.* ; Solbak, S.M.* ; Marseglia, G.* ; Sørensen, L.M.E.* ; Høj, L.J.* ; Munafò, F.* ; Carmona, R.M.C.* ; Garcia, A.D.* ; Desu, H.L.* ; Brambilla, R.* ; Johansen, T.N.* ; Popowicz, G.M. ; Sattler, M. ; Gajhede, M.* ; Bach, A.*
Deconstructing noncovalent kelch-like ECH-associated protein 1 (Keap1) inhibitors into fragments to reconstruct new potent compounds.
J. Med. Chem. 64, 4623-4661 (2021)
Dawidowski, M. ; Kalel, V.C.* ; Napolitano, V.* ; Fino, R. ; Schorpp, K.K. ; Emmanouilidis, L. ; Lenhart, D. ; Ostertag, M.S. ; Kaiser, M.* ; Kolonko, M. ; Tippler, B.* ; Schliebs, W.* ; Dubin, G.* ; Mäser, P.* ; Tetko, I.V. ; Hadian, K. ; Plettenburg, O. ; Erdmann, R.* ; Sattler, M. ; Popowicz, G.M.
Structure-activity relationship in pyrazolo[4,3-c]pyridines, first inhibitors of PEX14-PEX5 Protein-Protein Interaction (PPI) with trypanocidal activity.
J. Med. Chem. 63, 847-879 (2020)
Hanke, S.* ; Tindall, C.* ; Pippel, J.* ; Ulbricht, D.* ; Pirotte, B.* ; Reboud-Ravaux, M.* ; Heiker, J.T. ; Sträter, N.*
Structural studies on the inhibitory binding mode of aromatic coumarinic esters to human kallikrein-related peptidase 7.
J. Med. Chem. 63, 5723-5733 (2020)
Solbak, S.M.* ; Zang, J.* ; Narayanan, D.* ; Høj, L.J.* ; Bucciarelli, S.* ; Softley, C. ; Meier, S.* ; Langkilde, A.E.* ; Gotfredsen, C.H.* ; Sattler, M. ; Bach, A.*
Developing inhibitors of the p47phox-p22phox protein-protein interaction by fragment-based drug discovery.
J. Med. Chem. 63, 1156-1177 (2020)
van de Plassche, M.A.T.* ; O'Neill, T.J. ; Seeholzer, T. ; Turk, B.* ; Krappmann, D. ; Verhelst, S.H.L.*
Use of non-natural amino acids for the design and synthesis of a selective, cell-permeable MALT1 activity-based probe.
J. Med. Chem. 63, 3996-4004 (2020)
Li, C.* ; Deng, X.* ; Zhang, W.* ; Xie, X.* ; Conrad, M. ; Liu, Y.* ; Friedmann Angeli, J.P.F.* ; Lai, L.*
Novel allosteric activators for ferroptosis regulator glutathione peroxidase 4.
J. Med. Chem. 62, 266-275 (2019)
Guarino, C.* ; Gruba, N.* ; Grzywa, R.* ; Dyguda-Kazimierowicz, E.* ; Hamon, Y.* ; Łȩgowska, M.* ; Skoreński, M.* ; Dallet-Choisy, S.* ; Marchand-Adam, S.* ; Kellenberger, C.* ; Jenne, D. ; Sieńczyk, M.* ; Lesner, A.* ; Gauthier, F.* ; Korkmaz, B.*
Exploiting the S4-S5 Specificity of Human Neutrophil Proteinase 3 to Improve the Potency of Peptidyl Di(chlorophenyl)-phosphonate Ester Inhibitors: A Kinetic and Molecular Modeling Analysis.
J. Med. Chem. 61, 1858-1870 (2018)
Kyriakou, E. ; Schmidt, S. ; Dodd, G.T.* ; Pfuhlmann, K. ; Simonds, S.E.* ; Lenhart, D. ; Geerlof, A. ; Schriever, S.C. ; de Angelis, M. ; Schramm, K.-W. ; Plettenburg, O. ; Cowley, M.A.* ; Tiganis, T.* ; Tschöp, M.H. ; Pfluger, P.T. ; Sattler, M. ; Messias, A.C.
Celastrol promotes weight loss in diet-induced obesity by inhibiting the protein tyrosine phosphatases PTP1B and TCPTP in the hypothalamus.
J. Med. Chem. 61, 11144-11157 (2018)
Bertoletti, N.* ; Braun, F.* ; Lepage, M.* ; Möller, G. ; Adamski, J. ; Heine, A.* ; Klebe, G.* ; Marchais-Oberwinkler, S.*
New insights into human 17β-hydroxysteroid dehydrogenase type 14: First crystal structures in complex with a steroidal ligand and with a potent non-steroidal inhibitor.
J. Med. Chem. 59, 6961-6967 (2016)
Braun, F.* ; Bertoletti, N.* ; Möller, G. ; Adamski, J. ; Steinmetzer, T.* ; Salah, M.* ; Abdelsamie, A.S.* ; Van Koppen, C.J.* ; Heine, A.* ; Klebe, G.* ; Marchais-Oberwinkler, S.*
First structure-activity relationship of 17β-hydroxysteroid dehydrogenase type 14 nonsteroidal inhibitors and crystal structures in complex with the enzyme.
J. Med. Chem. 59, 10719-10737 (2016)
Jagtap, P.K. ; Garg, D. ; Kapp, T.G.* ; Will, C.L.* ; Demmer, O.* ; Lührmann, R.* ; Kessler, H.* ; Sattler, M.
Rational design of cyclic peptide inhibitors of U2AF homology motif (UHM) domains to modulate pre-mRNA splicing.
J. Med. Chem. 59, 10190-10197 (2016)
Gilsbach, B.K.* ; Messias, A.C. ; Ito, G.* ; Sattler, M. ; Alessi, D.R.* ; Wittinghofer, A.* ; Kortholt, A.*
Structural characterization of LRRK2 inhibitors.
J. Med. Chem. 58, 3751-3756 (2015)
Marchais-Oberwinkler, S.* ; Xu, K.* ; Wetzel, M.* ; Perspicace, E.* ; Negri, M.* ; Odermatt, A.* ; Möller, G. ; Adamski, J. ; Hartmann, R.W.*
Structural optimization of 2,5-tiophene amides as highly potent and selective 17β-hydroxysteroid dehydrogenase type 2 inhibitors for the treatment of osteoporosis.
J. Med. Chem. 56, 167-181 (2013)
Wetzel, M.* ; Marchais-Oberwinkler, S.* ; Perspicace, E.* ; Möller, G. ; Adamski, J. ; Hartmann, R.W.*
Introduction of an electron withdrawing group on the hydroxyphenylnaphthol scaffold improves the potency of 17β-hydroxysteroid dehydrogenase type 2 (17β-HSD2) inhibitors.
J. Med. Chem. 54, 7547-7557 (2011)
Garg, D. ; Henrich, S. ; Salo-Ahen, O.M.H. ; Myllykallio, H. ; Costi, M.P. ; Wade, R.C.
Novel approaches for targeting thymidylate synthase to overcome the resistance and toxicity of anticancer drugs.
J. Med. Chem. 53, 6539-6549 (2010)
Adelt, S.* ; Plettenburg, O.* ; Stricker, R.* ; Reiser, G.* ; Altenbach, H.J.* ; Vogel, G.*
Enzyme-assisted total synthesis of the optical antipodes D-myo-inositol 3,4,5-trisphosphate and D-myo-inositol 1,5, 6-trisphosphate: aspects of their structure-activity relationship to biologically active inositol phosphates.
J. Med. Chem. 42, 1262-1273 (1999)
Adelt, S.* ; Plettenburg, O. ; Stricker, R.* ; Reiser, G.* ; Altenbach, H.J.* ; Vogel, G.*
Enzyme-Assisted Total Synthesis of the Optical Antipodes D-myo-Inositol 3,4,5-Trisphosphate and D-myo-Inositol 1,5,6-Trisphosphate: Aspects of Their Structure-Activity Relationship to Biologically Active Inositol Phosphates.
J. Med. Chem. 42, 1262-1273 (1999)
Richert, C.* ; Wessels, J.M. ; Müller, M.D.* ; Kisters, M.* ; Benninghaus, T.* ; Goetz, A.E.*
Photodynamic antitumor agents: β-Methoxyethyl groups give access to functionalized porphycenes and enhance cellular uptake and activity.
J. Med. Chem. 37, 2797-2807 (1994)
Strobl, G.R. ; Kruedener, S. von ; Stöckigt, J. ; Guengerich, F.P. ; Wolff, T.
Development of a Pharmacophore for Inhibition of Human Liver Cytochrome P-450 2D6: Molecular Modeling and Inhibition Studies.
J. Med. Chem. 36, 1136-1145 (1993)
Strobl, G.R. ; von Kruedener, S.* ; Stöckigt, J.H.H.* ; Guengerich, F.P.* ; Wolff, T.
Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: Molecular modeling and inhibition studies.
J. Med. Chem. 36, 1136-1145 (1993)