Title : Computational studies of the regioselectivities of COMT-catalyzed meta-/para-O methylations of luteolin and quercetin.

Pub. Date : 2014 Jan 16

PMID : 24354565






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1 Our QM/MM computations also confirmed that these two flavonoids have lower reaction energetic barriers for COMT-catalyzed meta-O-methylation than para-O-methylation. Flavonoids catechol-O-methyltransferase Homo sapiens