Elucidation of the methyl transfer mechanism catalyzed by chalcone O-methyltransferase: A density functional study

@article{Cui2011ElucidationOT,
  title={Elucidation of the methyl transfer mechanism catalyzed by chalcone O-methyltransferase: A density functional study},
  author={Feng-Chao Cui and Xiao-Liang Pan and Wei Liu and Jing-Yao Liu},
  journal={Journal of computational chemistry},
  year={2011},
  volume={32 14},
  pages={3068-74}
}
The mechanism of the methyl transfer catalyzed by chalcone O-methyltransferase has been computationally investigated by employing the hybrid functional B3LYP. Two models are constructed based on the two conformations of the substrate isoliquiritigenin in the X-ray structure. Our calculations show that the overall reaction is divided into two elementary steps: the water-assisted deprotonation of the substrate by His278 as a catalytic base, followed by the methyl transfer from S-adenosyl-L… CONTINUE READING

From This Paper

Figures, tables, results, connections, and topics extracted from this paper.
1 Extracted Citations
0 Extracted References
Similar Papers

Citing Papers

Publications influenced by this paper.

Similar Papers

Loading similar papers…