PMC:7441777 / 20746-21816 JSONTXT

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No. Compound name Binding energy (kcal/mol) No. of non-covalent interactions Involved amino acids\n1 TF3 −9.9 17 W617, K551, S549, D623, R836, S814, E811, F812, C813, D761, D618, S759, Y619, C622, R553, K621, D760\n2 TF2b −9.6 13 K551, Y619, D760, K798, W617, W800, D761, F812, C813, E811, D618, S549, A550\n3 TF1 −9.6 12 W617, D761, D760, Y619, R553, K621, P620, F793, D164, S795, K798, D618\n4 TF2a −9.3 14 C813, F812, D761, D760, D618, K798, K551, A550, S549, K621, Y619, W800, W617, E811\n5 Hesperidin −8.8 13 Y619, D618, K798, S795, M794, P793, D164, V166, P620, K621, D623, R555, Y455\n6 EGCG −7.3 9 D623, Y619, K621, S795, C622, D618, M794, P620, K798\n7 Myricetin −7.2 10 W617, W800, D760, E811, K798, D618, Y619, C622, D761, F812\n8 Quercetagetin −7.0 8 R553, K545, K621, D623, C622, D760, P620, Y619\n9 Remdesivir (Control) −7.7 13 R553, K621, C622, D760, E811, W800, K798, P620, Y455, R624, Y619, D618, D761\n10 GTP (Control) −7.9 15 R624, T556, D623, D760, Y619, C622, K621, D452, A554, 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