Chemistry, like all the natural sciences, begins with the direct observation of nature¡ª in this case, of matter.68131-04-4, Name is Sodium bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate, SMILES is O=C([O-])C1C(C([O-])=O)C2C=CC1C2.[Na+].[Na+], belongs to quinuclidines compound. In a document, author is Primozic, Ines, introduce the new discover, Application In Synthesis of Sodium bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
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)
Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 68131-04-4. Application In Synthesis of Sodium bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
Reference:
Quinuclidine – Wikipedia,
,Quinuclidine | C7H13N | ChemSpider