Primary Investigation for the Mechanism of Biatractylolide from Atractylodis Macrocephalae Rhizoma as an Acetylcholinesterase Inhibitor

Figure 3

Molecular docking between biatractylolide and CAS active site. (a) showed biatractylolide entire molecule passed through the narrow “aromatic gorge” into the AChE protein activity pocket bottom. (b) showed biatractylolide also combined with Trp84 (CAS active site amino acid residues) by H-π (3.88 Å).

(a)

(b)