Table 3.

Interaction and binding energy of sulfur and phenolic compounds with amino acids of α-glucosidase

Compounds	Binding energy (Kcal/mole)	Hydrogen interaction	Hydrophobic interaction
Allitridin	− 3.1	–	Arg442
Methyl propyl disulfide	− 2.9	–	Phe159
Allicin	− 3.1	–	Tyr72, val 216
Diisoamyl trisulfide	− 3.2	Arg446	Asp442,Val216,Phe178
Methionol	− 3.9	Gln182, Asp69	His112, Phe178, Val109, Asp215, Glu277, Val216, Phe159, Tyr72, Arg213,Asp352, His351, Arg446, Arg442
Ferulic acid	− 3.7	Asp69, Gln279, Glu277	His112, Val216, Asp215, Glu277, Val216, Phe159, Tyr72,Arg213,Asp352, His351, Arg442,
Caffeic acid	− 4.8	Arg213, Tyr24, Arg446, Asp69, Asp352, Glu277, Asp215	His112, Phe178, Phe159, Met70, His351, Val216, Tyr72, Arg442
p-coumaric acid	− 3.7	Asp69, Arg446, Tyr24	Arg442, Asp215, Val216, Tyr72
Miglitol (standard compound)	− 3.8	Asp69, Gln182, Glu277, Gln279	Arg446, Tyr72, His112, Val216, Asp215, Phe178, Phe303, Tyr158, Phe159