CRC 1093 - Publications Project A3

Area A: Chemical Ligands and Method

Publications by Prof. Dr. Thomas Schrader

Project A3:
Designed copolymers and molecular tweezers for protein surface recognition

T. Weil, A. Kirupakaran, M.-H. Le, P. Rebmann, J. Mieres-Perez, L. Issmail, C. Conzelmann, J. A. Müller, L. Rauch, A. Gilg, L. Wettstein, R. Groß, C. Read, T. Bergner, S. Axberg Pålsson, N. Uhlig, V. Eberlein, H. Wöll, F.-G. Klärner, S. Stenger, B. M. Kümmerer, H. Streeck, G. Fois, M. Frick, P. Braubach, A.-L. Spetz, T. Grunwald, J. Shorter, E. Sanchez-Garcia*, T. Schrader*, and Jan Münch*: Advanced Molecular Tweezers with Lipid Anchors against SARS-CoV-2 and Other Respiratory Viruses. JACS Au 2022, September 6, 2022doi:10.1021/jacsau.2c00220 *corresponding authors

Z. Li, I. Siddique, I. Hadrović, A. Kirupakaran, J. Li, Y. Zhang, F.-G. Klärner, T. Schrader, G. Bitan: Lysine-selective molecular tweezers are cell penetrant and concentrate in lysosomes. Commun Biol 2021 Sep 14;4(1):1076. doi: 10.1038/s42003-021-02603-2.

X. Guillory, I. Hadrović, P. J. de Vink, A. Sowislok, L. Brunsveld, T. Schrader, C. Ottmann: Supramolecular Enhancement of a Natural 14-3-3 Protein Ligand. J Am Chem Soc. 2021 Sep 1;143(34):13495-13500. doi: 10.1021/jacs.1c07095.

R. Malishev, N. Salinas, J. Gibson, A. B. Eden, J. Mieres-Perez, Y. B. Ruiz-Blanco, O. Malka, S. Kolusheva, F. G. Klärner, T. Schrader , E. Sanchez-Garcia, C. Wang, M. Landau, G. Bitan, R. Jelinek: Inhibition of Staphylococcus aureus biofilm-forming functional amyloid by molecular tweezers. Cell Chem Biol 2021 Apr 2:S2451-9456(21)00152-5. doi: 10.1016/j.chembiol.2021.03.013.

A. Meiners, S. Bäcker, I. Hadrovic, C. Heid, C. Beuck, Y. B. Ruiz-Blanco, J. Mieres-Perez, M. Pörschke, J.-N. Grad, C. Vallet, D. Hoffmann, P. Bayer, E. Sanchez-Garcia *, T. Schrader*, S. K. Knauer*: Targeting a protein epitope: Specific inhibition of the Survivin-CRM1 interaction by peptide-modified molecular tweezers. *corresponding authors Nat. Comm. 2021, doi 10.1038/s41467-021-21753-9.

T. Lieblein, R. Zangl, J. Martin, J. Hoffmann, M. Hutchinson, T. Stark, T. Schrader, H. Schwalbe and N. Morgner: Structural rearrangement of Aβ42 upon inhibitor binding suppresses formation of toxic Alzheimer oligomers. eLife 2020 Oct 23;9:e59306. doi: 10.7554/eLife.59306.

N. Bengoa-Vergniory, E. Faggiani, P. Ramos, E. Kirkiz, N. Connor-Robson, S. Vingill, M. Cioroch, F. Cavaliere, S. Threlfell, B. Roberts, T. Schrader, F.-G. Klarner, S. Cragg, B. Dehay, G. Bitan, C. Matute-Almau, E. Bezard, R. Wade-Martins: CLR01 protects dopaminergic neurons in vitro and in vivo in human neurons and mouse models of Parkinson’s. Nature Commun. 2020 Sep 28;11(1):4885. doi: 10.1038/s41467-020-18689-x.

D. Smolin, N. Tötsch, J.-N. Grad, J. Linders, F. Kaschani, M. Kaiser, M. Kirsch, D. Hoffmann, T. Schrader: Accelerated Trypsin Autolysis by Affinity Polymer Templates. RSC Advances 2020, 10, 28711-28719. doi: 10.1039/D0RA05827K

T. Weil, R. Groß, A. Röcker, K. Bravo-Rodriguez, C. Heid, A. Sowislok, M.-H. Le, N. Erwin, M. Dwivedi, S. Bart, P. Bates, L. Wettstein, J. Müller, M. Harms, K. Sparrer, Y. B. Ruiz-Blanco, C. Stuerzel, J. von Einem, S. Lippold, C. Read, P. Walther, M. Hebel, F. Kreppel, F.-G. Klärner, G. Bitan, M. Ehrmann, T. Weil, R. Winter, T. Schrader*, J. Shorter*, E. Sanchez-Garcia*, J. Muench*: Supramolecular Mechanism of Viral Envelope Disruption by Molecular Tweezers. J Am Chem Soc. 2020 Sep 14.doi: 10.1021/jacs.0c06400.*corresponding authors

A. Prabodh, D. Bauer, S. Kubik, P. Rebmann, F.-G. Klärner, T. Schrader, L. Delarue Bizzini, M. Mayor, F. Biedermann: Chirality Sensing of Terpenes, Steroids, Amino Acids, Peptides and Drugs with Acyclic Cucur-bit[n]urils and Molecular Tweezers. Chem Commun (Camb). 2020 Apr 7. doi: 10.1039/d0cc00707b.

N. Sadeghi, A. Kirupakaran, F.-G. Klärner, T. Schrader: Molecular Clips and Tweezers modify Protein Function. Supramolecular Protein Chemistry. Chapter 2, Peter Cowley, Editor; Royal Society of Chemistry, London 2020, in print.

I. Hadrovic, P. Rebmann, F.-G. Klärner, G. Bitan, T. Schrader: Molecular Lysine Tweezers Counteract Aberrant Protein Aggregation. Frontiers in Chemistry, Mini Review, 01 October 2019. doi: 10.3389/fchem.2019.00657

L. Li, N. Erwin, S. Möbitz, F. Niemeyer, T. Schrader, R. Winter: Dissociation of the Signaling Protein K-Ras4B from Lipid Membranes Induced by a Molecular Tweezer. Chem. Eur. J. 2019, Jul 25;25(42):9827-9833. doi: 10.1002/chem.201901861.

G. Ertürk, M. Akhoundian, K. Kujawski ,S. Shinde, S. Yee Yeung, M. Hedström, T. Schrader, B. Mattiasson, B. Sellergren: Bisphosphonate Ligand Mediated Ultrasensitive Capacitive Protein Sensor: Complementary Match of Supramolecular and Dynamic Chemistry. New J. Chem. 2019, 43, 847-852. doi.org/10.1039/C8NJ05238G

C. Heid, A. Sowislok, T. Schaller, F. Niemeyer, F.G. Klärner, T. Schrader: Molecular Tweezers with Additional Recognition Sites. Chemistry. 2018 Aug 6;24(44):11332-11343. doi: 10.1002/chem.201801508. Epub 2018 Jul 17.

M. Nshanian, C. Lantz, P. Wongkongkathep, T. Schrader, F.-G. Klärner, A. Blümke, C. Despres, M. Ehrmann, C. Smet-Nocca, G. Bitan, J. A. Loo: Native Top-Down Mass Spectrometry and Ion Mobility Spectrometry of the Interaction of Tau Protein with a Molecular Tweezer Assembly Modulator. J. Am. Soc. Mass Spectrom. 2018. DOI: 10.1007/s13361-018-2027-6

K. Kujawski, C. Heid, T. Schrader: Maßgeschneiderte Liganden für Protein-Protein-Interaktionen. BIOspektrum 2018, 24, 387-389, Springer. DOI: 10.1007/s12268-018-0934-5.

P. Gilles, K. Wenck, I. Stratmann, M. Kirsch , D. A. Smolin, T. Schaller, H. de Groot, A. Kraft, T. Schrader: High-Affinity Copolymers Inhibit Digestive Enzymes by Surface Recognition. Biomacromolecules. 2017 Jun 12;18(6):1772-1784. doi: 10.1021/acs.biomac.7b00162. Epub 2017 May 9

P. de Vink, J. Briels, T. Schrader, L. Milroy, L. Brunsveld, C. Ottmann: Cucurbit[8]uril and 14-3-3 based binary bivalent supramolecular-protein assembly platform and co-crystal structure. Angew Chem Int Ed Engl. 2017 May 16. doi: 10.1002/anie.201701807

C. Wilch, P. Talbiersky, U. Berchner-Pfannschmidt, T. Schaller, M. Kirsch , F.-G. Klärner, T. Schrader: Molecular tweezers inhibit PARP-1 by a new Mechanism. Eur. J. Org. Chem. 2017. DOI: 10.1002/ejoc.201601596 - very important paper.

T. Schrader, G. Bitan and F. G. Klärner: Molecular tweezers for lysine and arginine - powerful inhibitors of pathologic protein aggregation. Chem Commun (Camb). 2016 Aug 22. Epub ahead of print.

C. Streich, L. Akkari, C. Decker, J. Bormann, C. Rehbock, A. Müller-Schiffmann, F. C. Niemeyer, L. Nagel-Steger, D. Willbold, B. Sacca, C. Korth, T. Schrader, S. Barcikowski: Characterizing the Effect of Multivalent Conjugates Composed of Aβ-Specific Ligands and Metal Nanoparticles on Neurotoxic Fibrillar Aggregation. ACS Nano. 2016 Aug 23;10(8):7582-97. doi: 10.1021/acsnano.6b02627.

E. Lump, L. M. Castellano, C. Meier, J. Seeliger, N. Erwin, B. Sperlich, C. M. Stürzel, S. Usmani, R. M. Hammond, J. von Einem, G. Gerold, F. Kreppel, K. Bravo-Rodriguez, T. Pietschmann, V. M. Holmes, D. Palesch, O. Zirafi, D. Weissman, A. Sowislok, B. Wettig, C. Heid, F. Kirchhoff, T. Weil, F.-G. Klärner, T. Schrader, G. Bitan, E. Sanchez-Garcia, R. Winter, J. Shorter, J. Münch: Molecular Tweezers Inhibit Islet Amyloid Polypeptide Assembly and Toxicity by a New Mechanism. eLife. 2015; 4:e05397. DOI: 10.7554/eLife.05397

D.H. Lopes, A. Attar, G. Nair, E.Y. Hayden, Z. Du, K. McDaniel, S. Dutt, K. Bravo-Rodriguez, .S Mittal, F.G. Klärner, C. Wang, E. Sanchez-Garcia, T. Schrader, G. Bitan: Molecular Tweezers Inhibit Islet Amyloid Polypeptide Assembly and Toxicity by a New Mechanism. ACS Chem Biol. 2015 Apr 16.

R. Rose, K. Bravo-Rodriguez, J. M. Ramirez-Anguita, F.-G. Klärner, E. Sanchez-Garcia, T. Schrader, C. Ottmann: Molecular tweezers modulate 14-3-3 protein-protein interactions. Nat. Chem. 2013, 5, 234-239.

S. Dutt, C. Wilch, T. Gersthagen, P. Talbiersky, K. Bravo-Rodriguez, M. Hanni, E. Sanchez-Garcia,C. Ochsenfeld, F.G. Klärner, T. Schrader: Molecular tweezers with varying anions: a comparative study. J Org Chem 2013, Jul 5;78(13): 6721-34.

T. Gersthagen, J. Hofmann, F.-G. Klärner, C. Schmuck, T. Schrader: Unsymmetrical Molecular Arginine Tweezers recognize RGD loops. Eur. J. Org. Chem. 2013, 1080-1092.

S. Prabhudesai, S. Sinha, A. Kotagiri, A. Fitzmaurice, F.-G. Klärner, T. Schrader, G. Bitan, J. M. Bronstein: A Novel “Molecular Tweezer” Inhibitor of α-Synuclein Neurotoxicity in Vitro and in Vivo. Neurotherapeutics 2012, 9, 464-476.

F.-G. Klärner, T. Schrader: Aromatic Interactions by Molecular Tweezers and Clips in Chemical and Biological Systems. Acc. Chem. Res. 2012, 22 June.

S. Sinha, D. H. J. Lopes, Z. Du, E. S. Pang, A. Shanmugam, A. Lomakin, P. Talbiersky, A. Tennstaedt, K. McDaniel, R. Bakshi, P.-Y. Kuo, M. Ehrmann, G. B. Benedek, J. A. Loo, F.-G. Klärner, T. Schrader, C. Wang, G. Bitan: Lysine-specific molecular tweezers are broad-spectrum inhibitors of assembly and toxicity of amyloid proteins. J. Am. Chem. Soc. 2011, 133, 16958–16969.

P. Talbiersky, J. Polkowska, F. Bastkowski, M. Kirsch, H. de Groot, F. Klärner, T. Schrader: A Mechanism of Efficient G6PD inhibition by a Molecular Clip. Angew. Chem. Int. Ed. 2009, 48, 2886-2890.

P. Talbiersky, F. Bastkowski, F.-G. Klärner, T. Schrader: Molecular Clip and Tweezer introduce new Mechanisms of Enzyme Inhibition. J. Am. Chem. Soc. 2008, 130, 9824–9828.

K. Wenck, T. Schrader: A Noncovalent Switch for Lysozyme. J. Am. Chem. Soc. 2007, 129, 16015-16019.

S. Koch, C. Renner, X. Xie, T. Schrader: Tuning Linear Copolymers into Protein-Specific Hosts. Angewandte Chemie Int. Ed. 2006, 45, 6352-55.

C. Renner, J. Piehler, T. Schrader: Arginine- and Lysine-Specific Polymers for Protein Recognition and Immobilization. J. Am. Chem. Soc. 2006, 128, 620-628.

More Publications Area A

  • Project A1
    Protein-recognition by supramolecular ligands from focused combinatorial libraries (Carsten Schmuck)
  • Project A2
    Natural products as starting structures for the development of supramolecular ligands (Markus Kaiser)
  • Project A3
  • Project A5
    Protein-specific nanoparticles for cellular uptake (Matthias Epple)
  • Project A6
    DNA-based nanocontainers for predesigned spatial confinement of proteins (Barbara Saccà)
  • Project A7
    Pareto-optimization of protein-surface targeting supramolecular binders with hetero-avidity (Daniel Hoffmann)
  • Project A8
    Exploring protein-recognition by supramolecular binders with MD and QM/MM methods (Elsa Sánchez-Garcia)
  • Project A9
    Raman spectroscopic monitoring of protein recognition by supramolecular ligands (Sebastian Schlücker)

Biological Targets Publications Area B

  • Project B1
    Supramolecular ligands modulate assembly and function of HtrA proteases (Michael Ehrmann)
  • Project B2
    Probing mechanisms of the Cdc48/p97 segregase with designed supramolecular ligands (Hemmo Meyer)
  • Project B3
    Supramolecular specific inhibitors of intestinal proteases against ischemia/reperfusion injury (Herbert de Groot)
  • Project B4
    Modulation of 14-3-3 protein-protein interactions by supramolecular chemistry (Christian Ottmann)
  • Project B5
    Dissection and modulation of (patho)biological Survivin functions by supramolecular ligands (Shirley Knauer)
  • Project B6
    Targeting centromer recruitment of mitotic regulators by supramolecular ligands (Andrea Musacchio)