TABLE 2.
Amino acid residues contributed in molecular docking including hydrogen bond and hydrophobic bond.
Compound name | Hydrogen bond residues | Hydrophobic bond residues |
---|---|---|
GA | Val477, Leu411, Trp479, His474 | Asn412, Trp410 |
CA | Leu411, Lys476 | Asn412, His474, Trp479, Trp410, Val477 |
TQ | Trp479, Leu411 | Thr404, Trp410, Lys476, Val477, Asn412, His474 |
Betanin | Asp401, Asn412 | Glu414, Asp413, His474, Val477, Lys476 |
Betanidin | His474, Asp413, Asn412, Lys476 | Val477, Trp410 |
Fisetin | Trp410, Asp413 | His409, Thr404, Val477, Leu411, His474, Asn412 |
Ebselen | Gln499 | Trp410, Arg475, Val477, His478, Met497, Gln542, Asn544, Gly545, Cyt548 |