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. 2023 Nov 15;8(47):44880–44892. doi: 10.1021/acsomega.3c05638

Table 9. Results of Molecular Docking in Terms of Hydrogen Bonds and Binding Affinity.

target protein PDB id compound number of hydrogen bonds binding affinity
SOD 1cb4 furosemide Leu A 82, Ile A94, Asp A 96 –5.6
GSH peroxidase 7fc2 Gln A 107 –5.8
GSH reductase 1XAN Ser A 30, Gly A 31, Thr A 156 –7.8
iNOS 3e7g TRP A:372, Cys A:200, Tyr A:373 –7.2
SOD 1cb4 fenchyl acetate Thr A135, Gly A 139 –4.2
GSH peroxidase 7fc2 0 –5.6
GSH reductase 1XAN Thr A 379, Gly A 381 –5.4
NOS 3e7g 0 –5.7