Antioxidant and α-Amylase Inhibitory Property of Phyllanthus virgatus L.: An In Vitro and Molecular Interaction Study

Table 6

Molecular docking results of pancreatic α-amylase with different compounds of P. virgatus methanol extract.

Compounds	Binding energy (kcal/mol)	Residues involved
Hexadecanoic acid	−4.58	TRP-59, TYR-62, GLN-63, LEU-162, LEU-165, ADP-197, ALA-198, LYS-200, HIS-201, ILE-235, ASP-300
Asarone	−5.21	LEU-162, ASP-197, ALA-198, LYS-200, HIS-201, GLU-233, VAL-234, ILE-235
Phthalic acid	−4.00	TYR-151, ALA-198, LYS-200, HIS-201, GLU-233, ILE-235
Acrylic acid	−5.19	TRP-59, TYR-62, GLN-63, LEU-162, LEU-165, LYS-200, HIA-201, GLU-233, VL-234, ILE-235
11-Octadecenoic acid	−5.55	TRP-59, TYR-62, LEU-162, LEU-165, LYS-200, HIS-201, GLU-233, VAL-234, ILE-235
9,12-Octadecadienoic acid	−6.11	TRP-59, TYR-62, GLN-63, LEU-162, LEU-165, ALA-198, LYS-200, HIS-201, GLU-233, ILE-235
6-Octadecynoic acid	−4.92	TRP-58, TRP-59, TYR-62, HIS-101, LEU-162, VAL-163, LEU-165, ASP-197, ALA-198, LYS-200, HIS-201, GLU-233, ILE-235, HIS-305