Article
Structure-based discovery of a family of synthetic cyclophilin inhibitors showing a cyclosporin-A phenotype in Caenorhabditis elegans.
Biochemical and biophysical research communications - 30 Nov 2007
Yang Yuande, Moir Elizabeth, Kontopidis George, Taylor Paul, Wear Martin A, Malone Kirk, Dunsmore Colin J, Page Antony P, Turner Nicholas J, Walkinshaw Malcolm D
Abstract excerpt
Cyclophilins, which are found in all cellular compartments and with diverse biological roles, are now drug targets for a number of diseases including HIV infection, malaria and ischaemia. We used the database-mining program LIDAEUS and in silico screening to discover the dimedone family of inhibitors which show a conserved 'ball and socket' binding mode with a dimethyl group in the hydrophobic binding pocket of...
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