Abstract
Terpenoid synthases construct the carbon skeletons of tens of thousands of natural products. To predict functions and specificity of triterpenoid synthases, a mechanism-based, multi-intermediate docking approach is proposed. In addition to enzyme function prediction, other potential applications of the current approach, such as enzyme mechanistic studies and enzyme redesign by mutagenesis, are discussed.
Publication types
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Research Support, N.I.H., Extramural
MeSH terms
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Alkyl and Aryl Transferases / chemistry*
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Alkyl and Aryl Transferases / metabolism*
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Computational Biology
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Intramolecular Lyases
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Intramolecular Transferases
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Molecular Docking Simulation*
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Protein Engineering
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Terpenes / chemistry*
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Terpenes / metabolism*
Substances
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Terpenes
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Alkyl and Aryl Transferases
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Intramolecular Transferases
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squalene-hopene cyclase
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Intramolecular Lyases
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pinene cyclase I