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. 2023 Nov 30;19(11):1081–1085. doi: 10.6026/973206300191081

Table 3. Binding affinity and Hydrogen bond interaction of Quercetin and Remdesivir with the targets of interest.

Targets Binding affinity H-bond interactions
Quercetin Remdesivir Quercetin Remdesivir
Wnt -3 -8.3 -8 GLU-96, ARG-195, GLU-177 ASN B-191, ASP-174, ARG-195, SER-184, HIS-189, ALA- 185, LEU-259
Frizzel -6.6 -6.4 ARG-137 GLY-71, TYR-92
Lrp 6 -9.3 -8.4 ILE-1062, ASP-1018, VAL-114, ILE-1105 ASP -799
Spike protein -6.9 -6.1 SER-591, ASN-536, CYS- 538 GLU-169
ACE2 -8.3 -7.9 LYS-562, GLU-208, GYL-205, ASP-206, LEU-95 GLY A:205, GLN A:98, LYS A:562, GLN A:102, ALA A:396,GLU A:564
TMPRSS2 -7.3 -7.3 VAL-280 SER A:460, GLY A:439, GLY A:462, GLY A:464, SER A:436