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. 2025 Aug 21;15:30689. doi: 10.1038/s41598-025-08485-2

Table 1.

Molecular Docking results of ligands and TYR.

Number CAS Ligands Docking score (kcal/mol)
1 16830-15-2 Asiaticoside −8.963
2 80418-24-2 Notoginsenoside R1 −8.386
3 11021-13-9 Ginsenoside Rb2 −8.137
4 20784-50-3 Isobavachalcone −8.02
5 55033-90-4 Isorhamnetin-3-O-neohespeidoside −8.001
6 123-31-9 Benzene-1,4-diol −7.859
7 1197-18-8 Tranexamic acid −7.813
8 59870-68-7 Glabridin −7.776
9 50-81-7 Vitamin C −7.743
10 21967-41-9 Baicalin −7.725
11 96574-01-5 Salvianolic acid A −7.714
12 989-51-5 (EGCG)(-)-Epigallocatechin gallate −7.684
13 458-37-7 Curcumin −7.668
14 14259-45-1 Asperuloside −7.656
15 404-86-4 Capsaicin −7.652
16 136-77-6 Hexylresorcinol −7.64
17 4046-02-0 Ethyl ferulate −7.523
18 6147-11-1 α-Mangostin −7.38
19 13241-33-3 Neohesperidin −7.329
20 486-62-4 Ononin -7.324
21 4852-22-6 Procyanidin -7.232
22 65666-07-1 Silybin −7.226
23 19879-30-2 Bavachinin A −7.215
24 7718-59-4 Vitamin E −7.171
25 2450-53-5 Isochlorogenic acid A −7.138
26 497-76-7 Arbutin −7.137
27 84650-60-2 Tea polyphenol −7.134
28 512-69-6 Melitose −7.133
29 501-30-4 Kojic acid −7.083
30 27215-14-1 Neoandrographolide −7.046