Table 1.

Docking profiles of seven test compounds to αSA53T monomer.

Ligand	Docking score	H-bond forming residues	H-bond score	Steric interaction score	RMSD (Å)
Compound 1	−69.23	−	0.00	−73.48	133.13
Compound 2	−65.53	−	0.00	−68.25	136.99
2-D08	−44.89	Lys 23, Thr 33	−6.00	−40.88	137.15
Myricetin	−41.82	Ala 19, Lys 21, 23, Thr 22, Gln 24, Gly 25	−10.45	−32.68	129.40
Honokiol	−58.36	Lys 23, Thr 33	−6.00	−55.55	137.42
Punicalagin	−38.00	Lys 21, Lys 23	−5.83	−38.28	131.27
Transilitin	−50.09	Lys 23, Lys 32, Thr 33, Lys 34	−10.00	−44.82	136.70