23 May 2002 - 2 June 2002. 24 May 2002 From genes to drugs via crystallography 19 May 1996 Experimental and computational approaches to structure based.

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Presentation transcript:

23 May June 2002

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

Function SequenceStructure Sequence FunctionStructure Genomic data

Function SequenceStructure Sequence FunctionStructure Genomic data

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

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

Form to function Motifs Alignments Classification Mechanisms Structure Analyses

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

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

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

Sequence Expression Prediction Genes DMPK properties Case studies Drugs Screening Docking Optimisation Crystallography Mass spectroscopy Electron microscopy NMR spectroscopy Crystallography Crystallisation (W1) Metal ions (W8) NorthWestern DOCK(W5) PDB (W2) WHATCHECK (W6) Bioinformatics (W7) CSD (W4) FlexX (W3) Workshops

Sequence Expression Prediction Genes DMPK properties Case studies Drugs Screening Docking Optimisation Crystallography Mass spectroscopy Electron microscopy NMR spectroscopy Crystallography Crystallisation (W1) Metal ions (W8) NorthWestern DOCK(W5) PDB (W2) WHATCHECK (W6) Bioinformatics (W7) CSD (W4) FlexX (W3) Posters Discussions Recreation Professional Contacts Plenary Lectures Workshops

A NATO Advanced Research Workshop Cosmetic and Therapeutic Chemicals 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 Directors

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