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. 2022 Jun 29;7(27):23759–23770. doi: 10.1021/acsomega.2c02424

Table 5. Docking Result of Erythronate-4-phosphate Dehydrogenase with 2-Acetyl-3H-benzo[f]chromen-3-one with Interaction Sites.

compound name docking score (Kcal mol–1) interaction residues (hydrogen bond) interaction residues (hydrophobic interactions) pi-cation interactions
2-acetyl-3H-benzo[f]chromen-3-one –7.9 ASN91 ARG44, ILE67, ASN91, TYR258 ARG346