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  • Title: Structure-based drug design: inhibitors of purine nucleoside phosphorylase.
    Author: Montgomery JA.
    Journal: Farmaco; 1993 Feb; 48(2):297-308. PubMed ID: 8494600.
    Abstract:
    The three-dimensional structure of the salvage pathway enzyme purine nucleoside phosphorylase (EC 2.4.2.1) as determined by X-ray crystallography has been used to design inhibitors of the enzyme. The design process is an iterative one utilizing X-ray crystallographic analysis, interactive computer graphics, Monte Carlo-based conformational searching, and energy minimization. The proposed compounds were synthesized, their IC50 values for inhibition of the enzyme determined, and the structures of their complexes with PNP analyzed by X-ray analysis. This procedure has led to the discovery of the most potent membrane-permeable competitive inhibitors of this enzyme thus far reported.
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