Design and Synthesis of a Heterocyclic Compound Collection for Probing the Spatial Charactistics of ATP Binding Sites Presented at the CSIR Conference.

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Presentation transcript:

Design and Synthesis of a Heterocyclic Compound Collection for Probing the Spatial Charactistics of ATP Binding Sites Presented at the CSIR Conference Centre CSIR Biosciences C.P. Kenyon, P.M. Matlaba, C.J. Parkinson, A.L. Rousseau and C.W. van der Westhuyzen February 28, 2006

Slide 2 © CSIR The kinases The nature of the ATP site A basis for selectivity Types of potential guest molecules Methodology for preparation

Slide 3 © CSIR The Kinases Proteins which transfer phosphoryl residues Utilise ATP as phosphate source All have an ATP site Why are kinases attractive targets?

Slide 4 © CSIR Basic Structural Characteristics of the ATP Site

Slide 5 © CSIR Pharmaceutical example: Interactions of SB in the p38 MAP Kinase

Slide 6 © CSIR Rational Basis of Design

Slide 7 © CSIR Scaffold Selection Pyrimidines PurinesImidazopyridines

Slide 8 © CSIR Spatial Comparison of Scaffolds

Slide 9 © CSIR Pyrimidines and Purines

Slide 10 © CSIR Synthesis of Pyrimidines and Purines

Slide 11 © CSIR

Slide 12 © CSIR Imidazopyridines

Slide 13 © CSIR The Classical Approach

Slide 14 © CSIR Diversity Orientated Approach

Slide 15 © CSIR

Slide 16 © CSIR

Slide 17 © CSIR The Way Ahead Explore the untapped dimension Kinase and ATP –ase studies

Thanks To……… CSIR Thematic Programmes Department of Science and Technology