Evidence-Based Complementary and Alternative Medicine / 2021 / Article / Tab 4 / Research Article
Anticholinesterase Activity of Eight Medicinal Plant Species: In Vitro and In Silico Studies in the Search for Therapeutic Agents against Alzheimer’s Disease Table 4 Binding affinity of the selected isolates of Blumea lacera with AChE (PDB ID: 4EY7) and BChE (PDB ID: 4AQD) enzymes.
Compound name Molecular formula Molecular weight Binding energy (kcal/mol) AChE BChE 5,4′-dihydroxy 6,7,3′-trimethoxyflavone (BL1) C18 H16 O7 344.31 −9.4 −8.5 3,5,4′-trihydroxy 6,7,3′-trimethoxyflavone (BL2) C18 H16 O8 360.31 −9.4 −8.8 5,3′,4′-trihydroxy 3,6,7-trimethoxyflavone (BL3) C18 H16 O8 360.31 −6.8 −8.3 5-hydroxy 3,6,7,3′,4′-pentamethoxyflavone (BL4) C20 H20 O8 388.36 −8.7 −7.7 Kaempferol-3-O -α -L-rhamnopyranosyl-(1→6)-β -D-glucopyranoside (BL5) C27 H30 O15 594.51 −8.7 −10.4 Kaempferol-3-O -(2″,6″-di-O -α -L-rhamnopyranosyl)-β -D-glucopyranoside (BL6) C33 H40 O19 740.65 −8.3 −10.7 Campesterol (BL7) C28 H48 O 400.68 −10.9 −8.8 19α -Hydroxyurs-12-ene-24,28-dioate 3-O -β -D-xylopyranoside (BL8) C37 H58 O10 662.85 −8.7 −10.4 (25R)-3β -{O -β -D-Glucopyranosyl-(1→4)-O -α -L-rhamnopyranosyl-(1→4)-[O -α -L-rhamnopyranosyl-(1→2)]-α -L-rhamnopyranosyl}-22α N-spirosol-5-ene (BL9) C51 H83 NO19 1014.20 −8.7 −9.9 Galantamine C17 H21 NO3 287.35 −9.4 −8.5
