Seit 2021 W3-Professor für Pharmazeutische und Medizinische Chemie, LMU München
Wichtige Publikationen
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.
Sai, M.; Vietor, J.; Kornmayer, M.; Egner, M.; López-García, U.; Höfner, G.; Pabel, J.; Marschner, J.; Wein, T.; Merk, D. Structure-Guided Design of Nurr1 Agonists Derived from the Natural Ligand Dihydroxyindole. J. Med. Chem., 2023, 13556–13567.
Arifi, S.; Marschner, J.; Pollinger, J.; Isigkeit, L.; Heitel, P.; Kaiser, A.; Obeser, L.; Höfner, G.; Proschak, E.; Knapp, S.; Chaikuad, A.; Heering, J.; Merk, D. Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPARγ Modulation. J. Am. Chem. Soc., 2023, 145(27), 14802–14810.
Ballarotto, M.; Willems, S.; Stiller, T.; Nawa, F.; Marschner, J.; 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, 8170–8177.
Vietor, J.; Gege, C.; Stiller, T.; Busch, R.; Schallmayer, E.; Kohlhof, H.; Höfner, G.; Pabel, J.; Marschner, J.; Merk, D. Development of a Potent Nurr1 Agonist Tool for In Vivo Applications. J. Med. Chem., 2023, 66, 6391–6402.
Faudone, G.; Zhubi, R.; Celik, F.; Knapp, S.; Chaikuad, A.; Heering, J.; Merk, D. Design of a potent TLX agonist by rational fragment fusion. J. Med. Chem., 2022, 65, 2288–2296.
Moret, M.; Helmstädter, M.; Grisoni, F.; Schneider, G.; Merk, D. Beam search for automated design and scoring of novel ROR ligands with machine intelligence. Angew. Chem. Int. Ed., 2021, 60, 19477–19482.
Grisoni, F.; Huisman, B.; Button, A.; Moret, M.; Atz, K.; Merk, D.; Schneider, G. Combining generative artificial intelligence and on-chip synthesis for de novo drug design. Sci. Adv., 2021, 7, eabg3338.
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, 1489–1500.