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  • Title: Rational design of novel glycomimetics: inhibitors of concanavalin A.
    Author: Welch KT, Turner TA, Preast CE.
    Journal: Bioorg Med Chem Lett; 2008 Dec 15; 18(24):6573-5. PubMed ID: 18990567.
    Abstract:
    A virtual screening approach was used to identify new glycomimetics. The National Cancer Institute Diversity Set was docked into the carbohydrate binding site of the lectin concanavalin A (ConA). The resulting poses were analyzed and 19 molecules were tested for inhibition with an enzyme-linked lectin assay (ELLA). Eight of the 19 molecules inhibited ConA-carbohydrate binding. The two most potent inhibitors have IC(50) values that are an order of magnitude smaller than the monosaccharide methyl alpha-D-mannopyranoside.
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