Abstract
Integration of computational methods, X-ray crystallography, and structure-activity relationships will be disclosed, which lead to a new class of p38 inhibitors that bind to p38 MAP kinase in a Phe out conformation.
MeSH terms
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Animals
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Binding Sites
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Biological Availability
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Computer Simulation
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Crystallography, X-Ray
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Drug Design
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Lipopolysaccharides / pharmacology
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Male
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Mice
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Models, Molecular*
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Niacinamide / analogs & derivatives
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Niacinamide / chemical synthesis
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Niacinamide / chemistry
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Niacinamide / pharmacology
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Protein Kinase Inhibitors / chemical synthesis*
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Protein Kinase Inhibitors / chemistry
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Protein Kinase Inhibitors / pharmacology
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Rats
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Rats, Sprague-Dawley
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Structure-Activity Relationship
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Sulfonamides / chemical synthesis*
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Sulfonamides / chemistry
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Sulfonamides / pharmacology
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Thiophenes / chemical synthesis
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Thiophenes / chemistry
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Thiophenes / pharmacology
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Tumor Necrosis Factor-alpha / antagonists & inhibitors
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Tumor Necrosis Factor-alpha / biosynthesis
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p38 Mitogen-Activated Protein Kinases / antagonists & inhibitors*
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p38 Mitogen-Activated Protein Kinases / chemistry*
Substances
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Lipopolysaccharides
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Protein Kinase Inhibitors
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Sulfonamides
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Thiophenes
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Tumor Necrosis Factor-alpha
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Niacinamide
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p38 Mitogen-Activated Protein Kinases