In homogeneous catalysis, catalysts are in the same phase as the reactants. Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction.1889-67-4, Name is (2,3-Dimethylbutane-2,3-diyl)dibenzene, SMILES is CC(C)(C1=CC=CC=C1)C(C)(C2=CC=CC=C2)C, belongs to quinuclidine compound. In a document, author is Primozic, Ines, introduce the new discover, Name: (2,3-Dimethylbutane-2,3-diyl)dibenzene.
Binding Modes of Quinuclidinium Esters to Butyrylcholinesterase
The orientations of chiral quinuclidin-3-ol esters and benzoylcholine in the active site of horse butyrylcholinesterase have been investigated by flexible ligand docking. Change of the esters’ acyl moiety as well as the substituent at the quinuclidinium nitrogen atom affected the activity and stereoselectivity of the biotransformations. Analysis of interactions in the active site revealed the most important binding patterns for enantiomers, which define their reactivity. Calculated Gibbs energies of binding obtained by molecular docking simulations were well correlated to the experimentally determined binding affinities of the investigated chiral esters. (doi: 10.5562/cca2060)
Because enzymes can increase reaction rates by enormous factors, typically producing only a single product in quantitative yield, they are the focus of active research.In my other articles, you can also check out more blogs about 1889-67-4. Name: (2,3-Dimethylbutane-2,3-diyl)dibenzene.
Reference:
Quinuclidine – Wikipedia,
,Quinuclidine | C7H13N | ChemSpider