Christa E. Müller
Prof. Dr. rer. nat. Christa E. Müller
Faculty of Mathematics & Natural Sciences. Board member, speaker
  • Pharmaceutical Institute, Department of Pharmaceutical and Medicinal Chemistry
Research topics
  • G-protein-coupled receptors
  • ectonucleotidase inhibitors
  • prodrugs/ pharmacokinetics
  • molecular probes
  • assay development/ drug synthesis
My research focusses on the development of small molecules as selective ligands for G protein-coupled receptors, especially purinergic receptors, and enzyme inhibitors, particularly those involved in nucleotide and nucleoside metabolism .This includes synthesis of new compounds, including combinatorial approaches, analysis of structure-activity relationships, optimization of pharmacokinetic properties, and development of innovative high-throughput test systems. The small molecules developed are used as pharmacological tools for in vitro and in vivo studies (the latter in collaboration). Molecular probes are developed for biological and diagnostic applications. Our small molecule libraries, derived from chemical synthesis and from natural sources are applied to chemical genetic approaches. For a small number of specific targets which have been shown to be therapeutically relevant, we perform preclinical drug development programs in collaboration with pharmaceutical companies.
Selected publications

Targeting the main protease of SARS-CoV-2: From the establishment of high throughput screening to the design of tailored inhibitors.
Angew. Chem. Int. Ed. 2021, 60, 10423-10429;

Single stabilizing point mutation enables high-resolution co-crystal structures of the adenosine A2A receptor with preladenant conjugates. “Hot paper”, selected for Inside Cover Page. Angew. Chem. Int. Ed. 2022, e2022115545;

Discovery and crystallographic studies of nonpeptidic piperazine derivatives as covalent SARS-CoV-2 main protease inhibitors.
J. Med. Chem. 2022, 65, 16902-16917;

Thioesterase-mediated side chain transesterification generates potent Gq signaling inhibitor FR900359.
Nature Commun. 2021, 12, 1-12;

Elucidating the active δ-opioid receptor crystal structure with peptide and small-molecule agonists. Sci. Adv. 5(11):eaax9115. doi: 10.1126/sciadv.aax9115.

Structure of the human P2Y12 receptor in complex with an antithrombotic drug. Nature 509:115-118.

Christa E. Müller
Prof. Dr. rer. nat. Christa E. Müller
Faculty of Mathematics & Natural Sciences. Board member, speaker

An der Immenburg 4

53121 Bonn

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