Dr. Sabine Willems

 

Publications

Reynders, M.; Willems, S.; Marschner, J. A.; Wein, T.; Merk, D.; Thorn-Seshold, O. A High-Quality Photoswitchable Probe that Selectively and Potently Regulates the Transcription Factor RORγ. Angew. Chem. Int. Ed., 2024. DOI

Willems, S.; Busch, R.; Nawa, F.; Ballarotto, M.; Lillich, F.; Kasch, T.; López-García, Ú.; Marschner, J. A.; Rüger, L.; Renelt, B.; Ohrndorf, J.; Arifi, S.; Zaienne, D.; Proschak, E.; Pabel, J.; Merk, D. Structural Optimization of Oxaprozin for Selective Inverse Nurr1 Agonism. J. Med. Chem., 2024, 67, 13324–13348. DOI

Lewandowski, M.; Carmina, M.; Knümann, L.; Sai, M.; Willems, S.; Kasch, T.; Pollinger, J.; Knapp, S.; Marschner, J. A.; Chaikuad, A.; Merk, D. Structure-Guided Design of a Highly Potent Partial RXR Agonist with Superior Physicochemical Properties. J. Med. Chem., 2024, 67, 2152–2164. DOI

Adouvi, G.; Nawa, F.; Ballarotto, M.; Rüger, L. A.; Knümann, L.; Kasch, T.; Arifi, S.; Schubert-Zsilavecz, M.; Willems, S.; Marschner, J. A.; Pabel, J.; Merk, D. Structural Fusion of Natural and Synthetic Ligand Features Boosts RXR Agonist Potency. J. Med. Chem., 2023, 66, 16762-16771. DOI 

Ballarotto, M.; Willems, S.; Stiller, T.; Nawa, F.; Marschner, J. A.; Grisoni, F.; Merk, D. De Novo Design of Nurr1 Agonists via Fragment-Augmented Generative Deep Learning in Low-Data Regime. J. Med. Chem., 2023, 66 (12), 8170-8177. DOI

Mukhopadhyay, T. K.; Willems, S.*; Arp, C. J.; Morstein, J.; Haake, C. T.; Merk, D.; Trauner, D. Development of Light-Activated LXR Agonists. ChemMedChem, 2023, 18 (11), e202200647. DOI

Willems S.; Merk, D. Medicinal Chemistry and Chemical Biology of Nurr1 Modulators: An Emerging Strategy in Neurodegeneration. J. Med. Chem., 2022, 65 (14), 9548-9563. DOI 

Willems, S.; Marschner, J.; Kilu, W.; Faudone, G.; Busch, R.; Duensing-Kropp, S.; Heering, J.; Merk, D. Nurr1 modulation mediates neuroprotective effects of statins. Adv. Sci., 2022, 9 (18), 2104640. DOI

Willems, S.*; Müller, M.*; Ohrndorf, J.; Heering, J.; Proschak, E.; Merk, D. Scaffold hopping from amodiaquine to novel Nurr1 agonist chemotypes via microscale analogue libraries. ChemMedChem, 2022, 17 (8), e202200026. DOI

Lillich, F.; Willems, S.; Ni, X.; Borkowsky, C.; Kilu, W.; Brodsky, M.; Kramer, J.; Brunst, S.; Hernandez-Olmos, V.; Heering, J.; Schierle, S.; Kestner, R.; Mayser, F.; Helmstädter, M.; Göbel, T.; Weizel, L.; Namgaladze, D.; Kaiser, A.; Steinhilber, D.; Pfeilschifter, W.; Kahnt, A.; Proschak, A.; Chaikuad, A.; Knapp, S.; Merk, D.; Proschak, E. Structure-Based Design of Dual Partial Peroxisome Proliferator Activated Receptor γ Agonists/Soluble Epoxide Hydrolase Inhibitors. J. Med. Chem. 2021, 64 (23), 17259-17276. DOI

Zaienne, D.*; Willems, S.*; Schierle, S.; Heering, J.; Merk, D. Development and profiling of inverse agonist tools for the neuroprotective transcription factor Nurr1. J. Med. Chem. 2021, 64 (20), 15126-15140. DOI

Willems, S.*; Zaienne, D.*; Merk, D. Targeting nuclear receptors in neurodegeneration and neuroinflammation. J. Med. Chem. 2021, 64 (14), 9592-9638. DOI

Willems, S.*; Morstein, J.*; Hinnah, K.; Trauner, D.; Merk, D. A Photohormone for Light-dependent Control of PPARα in Live Cells. J. Med. Chem. 2021, 64 (14), 10393-10402. DOI

Faudone, G.; Bischoff-Kont, I.; Rachor, L.; Willems, S.; Zhubi, R.; Kaiser, A.; Chaikuad, A.; Knapp, S.; Fürst, R.; Heering, J.; Merk, D. Propranolol Activates the Orphan Nuclear Receptor TLX to Counteract Proliferation and Migration of Glioblastoma Cells. J. Med. Chem. 2021, 64 (12), 8727–8738. DOI

Willems, S.; Gellrich, L.; Chaikuad, A.; Kluge, S.; Werz, O.; Heering, J.; Knapp, S.; Lorkowski, S.; Schubert-Zsilavecz, M.; Merk, D. Endogenous Vitamin E Metabolites Mediate Allosteric PPARγ Activation with Unprecedented Co-Regulatory Interactions. Cell Chem. Biol. 2021, 28 (10), 1489-1500. DOI

Willems, S.; Ohrndorf, J.; Kilu, W.; Heering, J.; Merk, D. Fragment-like Chloroquinoline-amines Activate the Orphan Nuclear Receptor Nurr1 and Elucidate Activation Mechanisms. J. Med. Chem. 2021, 64 (5), 2659–2668. DOI

Helmstädter, M.; Vietor, J.; Sommer, J.; Schierle, S.; Willems, S.; Kaiser, A.; Schmidt, J.; Merk, D. A New FXR Ligand Chemotype with Agonist/ Antagonist Switch. ACS Med. Chem. Lett. 2021, 12 (2), 267–274. DOI

Meijer, I.; Willems, S.; Ni, X.; Heering, J.; Chaikuad, A.; Merk, D. Chemical Starting Matter for HNF4α Ligand Discovery and Chemogenomics. Int. J. Mol. Sci. 2020, 21 (21), 7895. DOI

Hinnah, K.*; Willems, S.*; Morstein, J.; Heering, J.; Hartrampf, F. W. W.; Broichhagen, J.; Leippe, P.; Merk, D.; Trauner, D. Photohormones Enable Optical Control of the Peroxisome Proliferator-Activated Receptor γ (PPARγ). J. Med. Chem. 2020, 63 (19), 10908−10920. DOI

Schierle, S.; Neumann, S.; Heitel, P.; Willems, S.; Kaiser, A.; Pollinger, J.; Merk, D. Design and Structural Optimization of Dual FXR/PPARδ Activators. J. Med. Chem. 2020, 63 (15), 8369–8379. DOI

Willems, S.; Kilu, W.; Ni, X.; Chaikuad, A.; Knapp, S.; Heering, J.; Merk, D. The Orphan Nuclear Receptor Nurr1 Is Responsive to Non-Steroidal Anti-Inflammatory Drugs. Commun. Chem. 2020, 3, 85. DOI

Morstein, J.; Trads, J. B.; Hinnah, K.; Willems, S.; Barber, D. M.; Trauner, M.; Merk, D.; Trauner, D. Optical Control of the Nuclear Bile Acid Receptor FXR with a Photohormone. Chem. Sci. 2020, 11, 429–434. DOI

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. Boosting Anti-Inflammatory Potency of Zafirlukast by Designed Polypharmacology. J. Med. Chem. 2018, 61 (13), 5758–5764. DOI

*shared first authorship