Figure 6.
Predicted binding mode and predicted intermolecular interactions of major alkaloids in leaves and bulbs Phycella cyrtanthoides extracts and the residues of the human butyrylcholinesterase (hBuChE) catalytic site; (A) 3-hydroxydihydrocaranine in the catalytic site; (B) Kirkine in the catalytic site; (C) 10-O-dimethylgalanthine in the catalytic site; (D) 2-α-methoxy-6-O-ethyloduline in the catalytic site; (E) 10-norpluviine in the catalytic site; (F) 3-O-acetylnarcissidine in the catalytic site. Yellow dotted lines indicate hydrogen bond interactions; cyan dotted lines represent π–π interactions; magenta dotted lines represent T-shaped interactions; blue dotted lines indicate π-cation interactions; and red dotted lines indicate salt bridge interactions.
