In Silico and In Vitro Analysis of Bacoside A Aglycones and Its Derivatives as the Constituents Responsible for the Cognitive Effects of Bacopa monnieri
Fig 5
2-D interaction map of ebelin lactone in complex with the M1 mAChR model.
Negatively-charged, polar and hydrophobic residues are depicted with red, light blue and green circles, respectively. The hydrogen bond between the OH group at position-3 and Y85 residue is indicated by a purple dashed arrow. Ebelin lactone established non-polar interactions with L183, Y82 and L86 (non-conserved residues) which are postulated to be responsible for the allosteric subtype selectivity in muscarinic receptors.