Table 1.

The docking score MM\GBSA score and other energies of the protein–ligand complex.

PDB ID	Ligand Name	PubChem CID	Docking Score	MM\GBSA dG Bind	Ligand Efficiency Sa	Ligand Efficiency ln	Glide Evdw	Glide Ecoul	Prime Hbond	H-Bond Count
1EGI	Mannose	18950	−5.811	−19.28	−1.109	−1.667	−6.965	−20.241	−68.76	4
1EGI	PLGA	23111554	−4.334	−18.38	−0.934	−1.312	−6.634	−17.529	−68	2
1EGI	Punicalagin	44584733	−2.931	−14.1	−0.161	−0.547	−31.984	−13.778	−70.84	6