Pyramid: An Integrated Platform for Fragment‐based Drug Discovery
Thomas G. Davies, Rob L. M. van Montfort, Glyn Williams, Harren Jhoti · Methods and principles in medicinal chemistry · 2006
This chapter contains sections titled: Introduction The Pyramid Process Introduction Fragment Libraries Overview Physico-chemical Properties of Library Members Drug Fragment Library Privileged Fragment Library Targeted Libraries and Virtual Screening Quality Control of Libraries Fragment Screening X-ray Data Collection Automation of Data Processing Hits and Diversity of Interactions Example 1: Compound 1 Binding to CDK2 Example 2: Compound 2 Binding to p38α Example 3: Compound 3 Binding to Thrombin Pyramid Evolution – Integration of Crystallography and NMR NMR Screening Using Water-LOGSY Complementarity of X-ray and NMR Screening Conclusions Acknowledgments References