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 |