Abstract:Coptis chinensis 3'-hydroxy-N-methylcoclaurine 4'-O-methyltransferase (HOMT), an essential enzyme in the berberine biosynthetic pathway, catalyzes the methylation of 3'-hydroxy-N-methylcoclaurine (HMC) producing reticuline. A 3D model of HOMT was constructed by homology modeling and further subjected to docking with its ligands and molecular dynamics simulations. The 3D structure of HOMT revealed unique structural features which permitted the methylation of HMC. The methylation of HMC was proposed to proceed b… Show more
“…S2 †). 49,50 The docking results were filtered based on the provided criteria and docking scores, resulting in the selection of three conformations deemed to be more reliable (Fig. S1b-d †).…”
Section: Rational Design and Modification Strategies Improved The Act...mentioning
A sustainable lignin bioconversion depends on the exploitation of the inherent aromaticity of lignin for high-value aromatic products. However, the microbial valorization of lignin is hindered by the lack of...
“…S2 †). 49,50 The docking results were filtered based on the provided criteria and docking scores, resulting in the selection of three conformations deemed to be more reliable (Fig. S1b-d †).…”
Section: Rational Design and Modification Strategies Improved The Act...mentioning
A sustainable lignin bioconversion depends on the exploitation of the inherent aromaticity of lignin for high-value aromatic products. However, the microbial valorization of lignin is hindered by the lack of...
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.