Discovery and Mechanistic Investigation of a Bacteria-Derived Sesquiterpene Ether Synthase AceS Catalyzing Syn -Protoetherification
En palabras de los autores
Esta revista no permite republicar el resumen completo. Estas son las dos oraciones que eligió Pipette, citadas textualmente. El resto está en el sitio de la editorial.
Resultado principal
We herein report the discovery and mechanistic investigation of a bacteria-derived sesquiterpene synthase AceS, converting farnesyl diphosphate to acorenol ether (1) in a syn-protoetherification manner.
Limitación que admiten los autores
Results obtained from density functional theory (DFT) calculations, protein structure-guided site-directed mutagenesis, isolation and structural characterization of the products generated by the mutants, and protein–ligand docking simulations suggested cyclization through bisabolyl-dunnienyl cations as the favored pathway, albeit the coexistence of a pathway through carotenyl cations is also possible.
Apareció: lunes, 28 de septiembre. Journal of the American Chemical Society. Revista con revisión por pares.
DOI: 10.1021/jacs.6c13500