Medicinal Chemistry integrates the design, synthesis, and characterization of biologically active molecules. It explores new concepts such as chemogenomics and molecular signaling networks for more efficient drug discovery. We focus on G protein-coupled receptors (GPCRs) and Fragment-Based Drug Design (FBDD), particularly on the challenging structure-based FBDD for GPCRs.
Prof. Dr. Martine Smit, full Professor Target and Systems Biochemistry
Prof. Dr. Iwan de Esch, full Professor Drug Design & Synthesis
Prof. Dr. Rob Leurs, full Professor
Medicinal Chemistry consists of two research areas:
G-Protein-Coupled Receptors (GPCRs)
GPCRs are key targets in drug development and remain crucial in modern drug discovery. Our group focuses on designing and synthesizing new ligands for various GPCRs, including histamine receptors and chemokine receptors. We integrate modern molecular pharmacological concepts, such as allosteric modulation, to gain deep insights into ligand activity.
We pay special attention to viral GPCRs (vGPCRs), with a focus on HCMV-encoded vGPCRs and their roles in cellular signaling networks and HCMV-associated diseases such as cancer. Additionally, we are developing GPCR-targeted nanobodies as novel tools for modulating (viral) GPCR functions.
Fragment-Based Drug Design
Medicinal Chemistry focuses on structure-based drug design, with an emphasis on Fragment-Based Drug Design (FBDD). This cost-effective and efficient process is ideal for academic and biotech research.
We have established a fragment library of 1500 low molecular weight compounds to develop ligands for targets such as GPCRs, kinases, and protein-protein interactions. In addition to pharmacological screening, we use technologies like in silico docking, SPR, NMR, and X-ray crystallography, in collaboration with research institutes and pharmaceutical companies. We also focus on phosphodiesterases and antimicrobial agents for combating neglected diseases.
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