Daniela, Sandra and Antonella from Menarini are writing a book chapter on FBDD. They would like to insert a timeline showing the seminal papers in FBDD that established the scientific bona fides for the use of FBDD.So, this is your chance people, send in the papers you think are crucial to the scientific validation of FBDD. Please include complete citation and what the paper establishes and why it is important.
Two easy ones:
Shuker, S. B., Hajduk, P. J., Meadows, R. P., and Fesik, S. W. (1996) Discovering High-Affinity Ligands for Proteins: SAR by NMR, Science 274, 1531-1534.
This demonstrates a start to finish process for prosecuting fragments. It is especially important in that it also establishes the primacy of having binding information to help drive medchem decisions.
Hajduk, P. J., and Greer, J. (2007) A decade of fragment-based drug design: strategic advances and lessons learned, Nature Reviews Drug Discovery 6, 211-219.
This paper compares and contrasts FBDD vs. more traditional lead-like, HTS screening. It clearly demonstrates the advantages of FBDD in generating high quality hits with a better chance of progressing.
Now you all...