Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization.

@article{Sanders2004DiscoveryOP,
  title={Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization.},
  author={William J Sanders and Vicki L. Nienaber and Claude G Lerner and J. Owen McCall and Sean M Merrick and Susan J Swanson and John E. Harlan and Vincent S. Stoll and Geoffrey F Stamper and Stephen F. Betz and Kevin R Condroski and Robert P. Meadows and Jean M. Severin and Karl A. Walter and Peter Magdalinos and Clarissa G. Jakob and Rolf Wagner and Bruce A Beutel},
  journal={Journal of medicinal chemistry},
  year={2004},
  volume={47 7},
  pages={1709-18}
}
Potent inhibitors of 7,8-dihydroneopterin aldolase (DHNA; EC 4.1.2.25) have been discovered using CrystaLEAD X-ray crystallographic high-throughput screening followed by structure-directed optimization. Screening of a 10 000 compound random library provided several low affinity leads and their corresponding X-ray crystal structures bound to the enzyme. The presence of a common structural feature in each of the leads suggested a strategy for the construction of a directed library of… CONTINUE READING
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