Table 1 The hydrogen bond interaction and binding affinity of multiple ligands with tyrosinase in GFE-EA from SY-PCS IFS
Treatment | No. | Compound | Hydrogen Bond Interaction | Affinity (kcal/mol) | |
|---|---|---|---|---|---|
Without SY-PCS | 1 | Azelaic acid | Asn-29 | −17.38 | |
2 | L-Pyroglutamic acid | Glu-161 Val-27 | |||
3 | 3-Phenyllactic acid | Asp-30 Lys-28 | |||
4 | N-(p-coumaroyl) serotonin | - | |||
5 | Oleoyl ethanolamide | - | |||
9 | Succinic acid | Glu-16 Asp-130 | Lys-18 | ||
10 | Paracetamol | Asn-29 | |||
11 | Norfloxacin | Asn-22 | |||
12 | C2-ceramide | - | |||
13 | 2-Aminophenol | His-390 | |||
14 | Glycyrrhetic acid | - | |||
15 | Nicotinic acid | - | |||
With SY-PCS | 1 | Linoleic acid | Glu-137 Asn-174 | His-178 Lys-158 | -20.20 |
2 | Chrysin | Asp-367 Arg-301 | His-390 | ||
3 | Kaempferol | Leu-24 | |||
4 | Succinic acid | Thr-360 Val-11 | Lys-345 | ||
5 | Paracetamol | Asn-29 | |||
6 | Norfloxacin | Asp-25 | |||
7 | C2-ceramide | Asp-369 | |||
8 | 2-Aminophenol | - | |||
9 | Glycyrrhetic acid | - | |||
10 | Nicotinic acid | - | |||
