Abstract
The conversion of ribavirin to the monophosphate by adenosine kinase is the rate-limiting step in activation of this broad spectrum antiviral drug. Variation of the 3-substituents in a series of bioisosteric and homologated 1-beta-D-ribofuranosyl-1,2,4-triazoles has marked effects on activity with the human adenosine kinase, and analysis of computational descriptors and binding models offers insight for the design of novel substrates.
Publication types
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Research Support, N.I.H., Extramural
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Research Support, U.S. Gov't, Non-P.H.S.
MeSH terms
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Adenosine Kinase / metabolism*
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Antiviral Agents / chemical synthesis
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Antiviral Agents / chemistry*
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Antiviral Agents / metabolism*
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Computers
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Humans
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Models, Molecular
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Molecular Structure
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Phosphorylation
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Ribavirin / analogs & derivatives*
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Stereoisomerism
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Triazoles / chemical synthesis
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Triazoles / chemistry*
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Triazoles / metabolism*
Substances
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Antiviral Agents
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Triazoles
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Ribavirin
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Adenosine Kinase