Table 6: Molecular docking results of pancreatic α-amylase with different compounds of P. virgatus methanol extract.

CompoundsBinding energy (kcal/mol)Residues involved

Hexadecanoic acid−4.58TRP-59, TYR-62, GLN-63, LEU-162, LEU-165, ADP-197, ALA-198, LYS-200, HIS-201, ILE-235, ASP-300
Asarone−5.21LEU-162, ASP-197, ALA-198, LYS-200, HIS-201, GLU-233, VAL-234, ILE-235
Phthalic acid−4.00TYR-151, ALA-198, LYS-200, HIS-201, GLU-233, ILE-235
Acrylic acid−5.19TRP-59, TYR-62, GLN-63, LEU-162, LEU-165, LYS-200, HIA-201, GLU-233, VL-234, ILE-235
11-Octadecenoic acid−5.55TRP-59, TYR-62, LEU-162, LEU-165, LYS-200, HIS-201, GLU-233, VAL-234, ILE-235
9,12-Octadecadienoic acid−6.11TRP-59, TYR-62, GLN-63, LEU-162, LEU-165, ALA-198, LYS-200, HIS-201, GLU-233, ILE-235
6-Octadecynoic acid−4.92TRP-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