Tailoring Regioselectivity‐Controlled UDP‐Glycosyltransferase for Bidirectional Glycosylation of Tyrosol via Free Energy‐Driven Pocket Reshaping and Tunnel Engineering [PDF]
Advanced ScienceUDP‐glycosyltransferases (UGTs) are pivotal biocatalysts for synthesizing pharmaceutically valuable active components; however, their application is frequently constrained by poor regioselectivity and suboptimal catalytic efficiency.
Ziyu Zhang +7 more
doaj +2 more sources
Understanding a substrate's product regioselectivity in a family of enzymes: a case study of acetaminophen binding in cytochrome P450s. [PDF]
PLoS ONE, 2014 Product regioselectivity as influenced by molecular recognition is a key aspect of enzyme catalysis. We applied large-scale two-dimensional (2D) umbrella sampling (USP) simulations to characterize acetaminophen (APAP) binding in the active sites of the ...
Yue Yang +2 more
doaj +1 more source
Regioselectivity of conjugate additions to monoalkyl-1,4-benzoquinones [PDF]
Journal of the Serbian Chemical Society, 2002 The regioselectivity of the reaction of conjugate addition of thiols amines, methanol and hydrogen chloride with the monoalkyl-1,4-benzoquinones avarone and 2-tert-butyl- 1,4-benzoquinone was investigated.
Božić Tatjana T. +5 more
doaj +3 more sources
Scientific Reports, 2021 Enzymes with low regioselectivity of substrate reaction sites may produce multiple products from a single substrate. When a target product is produced industrially using these enzymes, the production of non-target products (byproducts) causes adverse ...
Jinzen Ikebe +4 more
doaj +1 more source
Highly efficient and enzymatic regioselective undecylenoylation of gastrodin in 2-methyltetrahydrofuran-containing systems. [PDF]
PLoS ONE, 2014 Highly efficient and regioselective acylation of pharmacologically interesting gastrodin with vinyl undecylenic acid has been firstly performed through an enzymatic approach. The highest catalytic activity and regioselectivity towards the acylation of 7'-
Rongling Yang +5 more
doaj +1 more source
Regioselective conversion of epoxides to β-acetoxy alcohols catalyzed by a novel green and recyclable phase transfer catalyst [PDF]
شیمی کاربردی روز, 2018 A new mild and efficient procedure for the ring opening of epoxides by acetate anion in the presence of catalytic amounts of silica-bound polyethylene glycol substituted 1-methylimidazolium bromide, SiO2-PEG-ImBr, as an effective heterogeneous phase ...
ندا عیاشی +2 more
doaj +1 more source
Iron-Catalyzed, Highly Regioselective Synthesis of alpha-Aryl Carboxylic Acids from Styrene Derivatives and CO2 [PDF]
, 2012 The iron-catalyzed hydrocarboxylation of aryl alkenes has been developed using a highly active bench-stable iron(II) precatalyst to give alpha-aryl carboxylic acids in excellent yields and with near-perfect regioselectivity. Using just 1 mol % FeCl2, bis(
Greenhalgh, Mark D., Thomas, Stephen P.
core +1 more source
Molecules, 2017 Conventional frontier molecular orbital theory is not able to satisfactorily explain the regioselectivity outcome of the nitrilimine–alkene cycloaddition.
Giorgio Molteni, Alessandro Ponti
doaj +1 more source
Molecules, 2021 A series of novel 4-(het)arylimidazoldin-2-ones were obtained by the acid-catalyzed reaction of (2,2-diethoxyethyl)ureas with aromatic and heterocyclic C-nucleophiles.
Almir S. Gazizov +10 more
doaj +1 more source
Cycloadditions of cyclohexynes and cyclopentyne. [PDF]
, 2014 We report the strategic use of cyclohexyne and the more elusive intermediate, cyclopentyne, as a tool for the synthesis of new heterocyclic compounds. Experimental and computational studies of a 3-substituted cyclohexyne are also described.
Garg, Neil K +4 more
core +2 more sources