23 May 2002 2 June 2002 Course 9

23 May 2002 - 2 June 2002

Course 9 Series 1 01 April 1983 X-ray crystallography and drug action Course 15 Series 2 11 June 1989 Three dimensional molecular structure and drug action 19 May 1996 Experimental and computational approaches to structure based drug design Course 33 Series 4 24 May 2002 From genes to drugs via crystallography Course 24 Series 3

Function Sequence Structure Genomic data Sequence Function Structure

Function Sequence Structure Genomic data Sequence Function Structure

Completed sequences of genomes (>60) structural biology find all folds functional genomics protein evolution Selectivity Target identification Modelling Fundamental understanding of biology Diagnosis Treatment Screening

CRYSTALLISATION Screening Kits Robotics Improved Plate designs Mini incubators Data tracking Software Imaging Liquid handling : n. L Automation base CLONING & PURIFICATION • Limited proteolysis, MS • Recombinant DNA technology • Constructs operating in more than one system • Miniaturisation : expression & purification Data Collection Better sources New detectors Automation : quality Crystal freezing Structure solution MAD phasing Automatic map interpretation Software integration

Structure Analyses Form to function • Motifs • Alignments • Classification • Mechanisms

Synergy of several disciplines Physics Chemistry Mathematics Statistics Molecular Biology Bioinformatics Computational Science Crystallography Genomics Structural Biology Proteomics Molecular Modelling Biochemistry NMR EM Pharmacology

Sequence Genomic data Genome Genes Overview of the genetics-based drug design process Sequence Function Approaches Predictive Techniques Empirical Methods Function Achievements Powers Pitfalls Prospects Structure Methods Tools Selectivity Diagnosis Target identification Drug design Treatment Modelling Screening Structure

Screening Docking Optimisation Crystallography Genes Drugs Sequence Expression Prediction DMPK properties Case studies Crystallography Mass spectroscopy Electron microscopy NMR spectroscopy Plenary Lectures

Screening Docking Optimisation Workshops Crystallography North. Western Flex. X (W 3) Genes Sequence Expression Prediction DOCK(W 5) Bioinformatics (W 7) CSD (W 4) PDB (W 2) Drugs DMPK properties Case studies WHATCHECK (W 6) Crystallography Mass spectroscopy Electron microscopy NMR spectroscopy Metal ions (W 8) Crystallisation (W 1)

Professional Contacts Workshops Screening Docking Optimisation Crystallography North. Western DOCK(W 5) Flex. X (W 3) Posters Bioinformatics (W 7) Genes Sequence Expression Prediction CSD (W 4) PDB (W 2) Drugs Discussions DMPK properties Case studies WHATCHECK (W 6) Metal ions (W 8) Crystallography Mass spectroscopy Electron microscopy NMR spectroscopy Crystallisation (W 1) Plenary Lectures Recreation

Cosmetic and Therapeutic Chemicals A NATO Advanced Research Workshop Directors Professor Janus Lipkowski Institute of Physical Chemistry Academy of Sciences, Warsaw, Poland Professor Georges Tsoucaris Centre de recherche et de Restauration des Musees de France CNRS, Paris France

Sponsors Elsevier