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. 1991 Dec 15;88(24):11540–11544. doi: 10.1073/pnas.88.24.11540

Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors.

S E Ealick 1, Y S Babu 1, C E Bugg 1, M D Erion 1, W C Guida 1, J A Montgomery 1, J A Secrist 3rd 1
PMCID: PMC53171  PMID: 1763067

Abstract

Competitive inhibitors of the salvage pathway enzyme purine-nucleoside phosphorylase (purine-nucleoside:orthophosphate ribosyltransferase, EC 2.4.2.1) have been designed by using the three-dimensional structure of the enzyme as determined by x-ray crystallography. The process was an iterative one that utilized interactive computer graphics, Monte Carlo-based conformational searching, energy minimization, and x-ray crystallography. The proposed compounds were synthesized and tested by an in vitro assay. Among the compounds designed and synthesized are the most potent competitive inhibitors of purine nucleoside phosphorylase thus far reported.

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Selected References

These references are in PubMed. This may not be the complete list of references from this article.

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