Skip to main content
. 2022 Apr 1;13:817990. doi: 10.3389/fphar.2022.817990

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