Table 2.
Docking results regarding the main four isolated compounds and collagenase (456c), elastase (6qeo), hyaluronidase (1fcv), and tyrosinase (5M8Q).
| Compound Name | Collagenase | Elastase | Hyaluronidase | Tyrosinase | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Score | HB | Hydrophobic | Score | HB | Hydrophobic | Score | HB | Hydrophobic | Score | HB | Hydrophobic | |
| α-Tocopherol | −9.02 | ----- | LEU185, LEU218, VAL219, LEU239, TYR244, PHE252, MET253 | −6.00 | HIS140, GLU141 | HIS140, HIS223 | −6.40 | SER304 | TYR55, TYR184, TYR227, TRP267, TRP301 | −7.70 | HIS377, HIS381 | HIS215, PHE362, TYR369, HIS381, LEU382 |
| β-Tocopherol | −8.68 | PRO190 | TYR176, LEU184, LEU185, HIS187, PRO193, HIS222, HIS226, HIS232 | −6.20 | ----- | VAL137, HIS140, LEU197, ARG208, HIS223, HIS224 | −6.40 | SER304 | TYR55, TYR184, TYR227, TRP301 | −7.46 | ----- | HIS215, PHE362, TYR369, HIS377, HIS381, LEU382, VAL391 |
| Neophytadiene | −7.83 | ----- | LEU184, LEU185, LEU218, VAL219, HIS222, LEU239, PHE252, MET252 | −5.20 | ----- | LEU132, VAL137, HIS140, ILE190, LEU197, ARG208, HIS223, HIS224 | −5.40 | ----- | TYR55, TRP184, TYR227, TRP301 | −7.13 | ----- | HIS215, TYR348, LEU382, VAL391, PRO431, HIS434 |
| γ-Sitosterol | −7.66 | ----- | TYR179, LEU184, TYR185, HIS187, PHE189, PRO193, HIS222, HIS232 | −6.10 | ----- | PHE129, LEU132, LEU197, ARG208, HIS223 | −6.90 | ----- | TYR55, TYR184, TYR227, TRP226, TRP301 | −6.84 | ----- | HIS215, PHE362, TYR369, HIS377, HIS381, LEU382, VAL391 |
| EGCG | −8.19 | ALA186, VAL219, GLU223, HIS226, PHE241, ILE243 | VLA219, HIS222 | −8.80 | GLU141, ARG198, ASP206, ASP221, HIS223 | HIS140, LEU197, ARG198 | −8.9 | ASP56, ASP111, TRP301, SER304 | ASP111, GLU113, TRP301 | |||
| Kojic acid | −4.62 | HIS377, SER394 | HIS377, SER394 | |||||||||