Anti-picornaviral ligands via a combinatorial computational and synthetic approach
AssigneePresident and Fellows of Harvard College
InventorsDiane M. Joseph-McCarthy, Lyle D. Isaacs, George M. Whitesides, Martin Karplus, James M. Hogle, James Li-wen Cheh
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Abstract
The present invention provides structure-based combinatorial libraries of compounds containing the functional group minima of picornaviruses including poliovirus and rhinovirus. The libraries can be used to screen for therapeutical antiviral compounds, e.g., anti-picornaviral capsid-binding compounds.
Claims36
A composition comprising a mixture of reaction products resulting from a combinational synthesis of two aromatic monomers and a spacer monomer, wherein the two aromatic monomers are covalently linked through X to the spacer monomer, X is S or 0, the aromatic monomer and the spacer monomer are functional group minima of a picornavirus.
A library comprising functional group minima of picornaviruses covalently linked such that aromatic functional groups are linked via linker functional groups and wherein the aromatic functional groups are selected from the group consisting of a single five or six membered rings and fused double rings comprising a five membered ring and a six membered ring or two six membered rings and wherein one of the rings contains a hydroxyl group substituent or a sulfhydryl group substituent.
A compound that binds to a Mahoney poliovirus capsid represented by a structure selected from the group consisting of those structures presented in FIG. 4a-h.
Dependencies are inferred from the claim text.