Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 1763067.
- Also identified by PMC identifier 53171.
- No licence information is recorded for this record.
- Because redistribution is not established, this page shows the abstract only. Follow the links below for the full text.
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.
Medical subject headings
- Enzyme Inhibitors
- Purine-Nucleoside Phosphorylase