QSAR of acetylchol inesterase inhibitors: a reexamination of the role of charge-transfer.
The binding of acetylcholinesterase (AChE) inhibitors to the enzyme is well correlated with substituent constants like logMR, epsilon pi, epsilon sigma, mu, D for series of aromatic methylcarbamates and aromatics. From a correlation study, it appears that charge-transfer effects can be quantitatively separated into steric, electronic and indicator variables (the number of lone pair electrons). Therefore, the interaction of AChE inhibitors with the enzyme can be attributed to the summation of various intermolecular forces as well as to charge-transfer and hydrophobic interactions alone.
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D002800:Cholinesterase Inhibitors; D004579:Electron Transport; D013329:Structure-Activity Relationship
D002800:Cholinesterase Inhibitors