Drug Design & Synthesis

Research topics

• Synthesis of new medicines for inflammatory diseases, e.g., rheumatoid arthritis 
  Our synthetic chemists make series of organic compounds, many of which heterocyclic compounds. The biological activities of these compounds are measured in   collaboration  with our molecular pharmacologists and the results allow elucidation of the structure-activity relationship (SAR). This insight enables the rational design of new compounds that will be synthesized. Some of the developed compounds have very promising anti-inflammatory properties in disease models.

• Molecular modeling enables drug design for neurologic disorders
  
  
  
  Our computational chemists use protein sequences, crystal structures and molecular modeling software to generate 3-dimensional models of nicotinic acetylcholine receptors and G protein-coupled receptors and virtually screen for new ligands for these proteins. Detailed in silico analyses and predictions using a variety of computational chemistry technologies and guided by experimental data is leading to better molecular understanding of ligand-protein interactions and ultimately to more potent and selective drugs to treat anxiety, schizophrenia and addictions.

• Fragment-Based Drug Discovery
  In this emerging drug discovery approach, small molecules (“fragments”) that bind to the biological target are identified, and the fragments are step-by-step grown (synthesized) into drug-like compounds.  This novel approach requires a combination of high-tech computer-aided drug design and state-of-the-art synthetic chemistry to synthesize and isolate the biologically active compounds. This novel technology is knowledge driven and very efficient. At VU University Amsterdam it is used (among others) to develop drugs for neglected diseases, e.g., Black Fever and African Sleeping Sickness.