Abstract
A series of 2-benzyl and 2-phenyl-3-hydroxypropyl pivalates designed to incorporate the principal pharmacophores of phorbol esters have been synthesized and tested as PKC-alpha ligands. Among the analogues, 13c exhibited the most potent binding affinity with a Ki = 0.7 microM. The synthesized analogues were subjected to molecular modeling analysis based on two alternative models of the phorbol pharmacophore and a docking study of 13c was carried out.
Publication types
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Research Support, N.I.H., Intramural
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Research Support, Non-U.S. Gov't
MeSH terms
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Binding Sites
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Ligands
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Models, Molecular
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Molecular Structure
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Pentanoic Acids / chemical synthesis
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Pentanoic Acids / chemistry*
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Pentanoic Acids / metabolism
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Phorbols / chemistry
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Phorbols / metabolism
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Protein Kinase C-alpha / chemistry*
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Protein Kinase C-alpha / drug effects
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Protein Kinase C-alpha / metabolism
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Structure-Activity Relationship
Substances
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Ligands
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Pentanoic Acids
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Phorbols
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pivalic acid
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Protein Kinase C-alpha