Predicting the functions and specificity of triterpenoid synthases: a mechanism-based multi-intermediate docking approach.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 25299649.
- Also identified by DOI 10.1371/journal.pcbi.1003874 and PMC identifier 4191879.
- Licence recorded as CC BY.
- The licence permits redistribution, so the abstract is shown in full and the full text is available from the publisher.
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.
Medical subject headings
- Alkyl and Aryl Transferases
- Molecular Docking Simulation
- Terpenes