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(a) Stereoviews looking down the gorge of TcAChE binding with 3g; (b) representation of compound 3g docked into the binding site of AChE highlighting the protein residues that form the main interactions with the inhibitor.
officinalis Nauclea officinalis AD Alzheimer's disease ACh acetylcholine ChEIs cholinesterase inhibitors C[H.sub.2][Cl.sub.2] dichloromethane MeOH methanol DEB dichloromethane extract of bark DEL dichloromethane extract of leaves MEL methanol extract of leaves HPLC high performance liquid chromatography PTLC preparative thin layer chromatography TcAChE Torpedo californica acetylcholinesterase hBChE human butyrylcholinesterase LB Lineweaver-Burk [K.sub.i] inhibition constant ARTICLE INFO
Compound Enzyme Binding Interacting Residue energy (kcal) site Angustidine (2) TcAChE -11.53 CBS * Trp 84 htBChE -10.14 CS ** Ser 198 His 438 Nauclefine (3) hBChE -10.15 CS ** His 438 OH *** Gly 116 Compound Type of Distance Ligand interaction ([Angstrom]) interacting Angustidine (2) Hydrophobic 3.47 Aromatic ring Hydrogen 1.83 C-19 2.76 C-19 Nauclefine (3) Hydrophobic 3.44 Aromatic ring 4.09 Aromatic ring 5.21 Aromatic ring Hydrogen 2.25 C-18 * Choline binding site.