Table 2.
Molecular docking results of ligands and MC1R.
| Number | CAS | Ligands | Docking score (kcal/mol) |
|---|---|---|---|
| 1 | 581-05-5 | α-MSH | -10.703 |
| 2 | 616204-22-9 | Argireline | -9.509 |
| 3 | 214047-00-4 | Matrixyl | -9.199 |
| 4 | 221227-05-0 | Palmitoyl tetrapeptide-7 | -8.843 |
| 5 | 147732-56-7 | Palmitoyl tripeptide-1 | -8.129 |
| 6 | 11021-13-9 | Ginsenoside Rb2 | -8.108 |
| 7 | 16830-15-2 | Asiaticoside | -8.057 |
| 8 | 158563-45-2 | Nonapeptide-1 | -7.858 |
| 9 | 58479-68-8 | Platycodin D | -7.842 |
| 10 | 14197-60-5 | Ginsenoside Rg3 | -7.836 |
| 11 | 2450-53-5 | Isochlorogenic acid A | -7.82 |
| 12 | 479-98-1 | Aucubin | -7.786 |
| 13 | 80418-24-2 | Notoginsenoside R1 | -7.773 |
| 14 | 96574-01-5 | Salvianolic acid A | -7.735 |
| 15 | 13241-33-3 | Neohesperidin | -7.693 |
| 16 | 32451-88-0 | Isochlorogenic acid C | -7.523 |
| 17 | 58749-22-7 | Licochalcone A | -7.494 |
| 18 | 55033-90-4 | Isorhamnetin-3-O-neohespeidoside | -7.342 |
| 19 | 4261-42-1 | Isoorientin | -7.268 |
| 20 | 989-51-5 | (EGCG)(-)-Epigallocatechin gallate | -7.197 |
| 21 | 1401-55-4 | Tannic acid | -6.995 |
| 22 | 83-46-5 | β-Sitosterol | -6.989 |
| 23 | 486-62-4 | Ononin | -6.958 |
| 24 | 5041-81-6 | Isoliquiritin | -6.956 |
| 25 | 4852-22-6 | Procyanidin | -6.933 |
| 26 | 512-69-6 | Melitose | -6.901 |
| 27 | 463-40-1 | Linolenic acid | -6.865 |
| 28 | 1415-73-2 | Aloin | -6.747 |
| 29 | 33171-05-0 | Bisdemethoxycurcumin | -6.727 |
| 30 | 24512-63-8 | Geniposide | -6.707 |