Design and evaluation of selective butyrylcholinesterase inhibitors based on Cinchona alkaloid scaffold
Fig 4
CD-(pBr) (thicker stick model) and CN-(pBr) (slimmer stick model) in the active site of BChE (yellow carbon atoms) and AChE (grey carbon atoms) obtained by ONIOM calculations.
A) overlay of CD-(pBr) bioactive conformers; B) overlay of CN-(pBr) bioactive conformers; C) overlay of CD-(pBr) and CN-(pBr) bioactive conformers from AChE; D) overlay of CD-(pBr) and CN-(pBr) bioactive conformers from BChE.