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Table 1 GOLD Fitness score and Protein-Ligand Interactions of Protein ID: 1N5X with XO Inhibitors

From: Potential natural inhibitors of xanthine oxidase and HMG-CoA reductase in cholesterol regulation: in silico analysis

Compounds Reported IC50 value (μM) GOLD Score H-Bond Interaction Residues Bond Length Other Interacting Residues
Amentoflavone (1) 0.09 70.54 Glu 802
Asn 768
Phe 914
Ser 876
2.1
2.7
-
2.8
Pi-Pi interaction with Phe 914
6- Gingerol (2) 10.50 68.75 Thr 1010
Ala 1079
Phe 798
Phe 914
1.9
2.4
2.5
-
Pi-Pi interaction with Phe 914
6- Paradol (3) 12.40 67.34 Arg 880
Phe 914
3.2
-
Pi-Pi interaction with Phe 914
Selgin (4) 0.22 61.41 Phe 914
Glu 1261
Thr 1010
Arg 880
-
2.0
3.0
2.4/3.2
Pi-Pi interaction with Phe 914
Isoquercitrin (5) 1.60 55.4 Thr1010
Ala 1079
Phe 914
Ser 876
Asp 872
Asn 768
Lys 771
2.90/3.00 3.00
2.8
-
2.9
3
2.5
Pi-Pi interaction with Phe 914
Neotaiwanensol B (6) 0.28 52.77 Ser 876
Thr 1010
Arg 880
Phe 914
3
1.6
2.90/2.90
2.9
Pi-Pi interaction with Phe 914
Hydroxychavicol (7) 0.38 49.02 Arg 880
Phe 914
2.9/2.7
-
Pi-Pi interaction with Phe 914
Riparsaponin (8) 0.01 27.92 Leu 648 3.2 No any extra interaction