Iwan de Esch

picture speaker
VU University Amsterdam
i.de.esch@few.vu.nl

Biosketch
Dr Iwan de Esch studied organic chemistry at the University of Nijmegen. From 1994-1998 he did his PhD research at the Department of Pharmacochemistry, VU University Amsterdam, The Netherlands. In 1998, he joined as a post-doc the Drug Design Group of the University of Cambridge, UK. Dr de Esch is a co-founder of De Novo Pharmaceuticals, a company that spun out of the University of Cambridge in the year 2000. Dr de Esch returned to academia in 2003 to become an assistant professor of the Medicinal Chemistry Section at the VU University Amsterdam. The research mission of the Section is to obtain detailed molecular understanding of the binding and the mechanism of action of biologically active molecules, by means of an integrated approach combining design, synthesis, pharmacological and biochemical characterization. Focus is on two research lines, namely G-protein-coupled receptors (GPCRs), and fragment-based drug design. Dr. de Esch is a co-founder of IOTA Pharmaceuticals, a company that is aimed to valorize the Fragment-Based Drug Discovery research line This talk will combine orthogonal fragment screening, molecular modelling studies and structure-based hit optimization efforts applied to Acetylcholine Binding Protein (AChBP). The fragment optimization was guided by X-ray structures of ligand complexes and systematic thermodynamic analyses using SPR and ITC.

Summary

Fragment screening and growing in acetylcholine binding protein, structural insights and thermodynamic considerations
This talk will combine orthogonal fragment screening, molecular modelling studies and structure-based hit optimization efforts applied to Acetylcholine Binding Protein (AChBP). The fragment optimization was guided by X-ray structures of ligand complexes and systematic thermodynamic analyses using SPR and ITC.