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. 2021 Sep 29;7(9):e08078. doi: 10.1016/j.heliyon.2021.e08078

Table 9.

Chemical interaction analyses of the inhibitory activity of borapetoside A against AG using Discovery Studio.

Receptor (amino acid) Distance (Å) Ligand (group) Receptor (group) Chemical interaction
ASP327 2.30238 H-Donor H-Acceptor Hydrogen bond
GLN256 3.04358 H-Donor H-Acceptor Hydrogen bond
TYR388 5.29125 Pi-Orbitals Pi-Orbitals Hydrophobic
VAL405 5.4311 Pi-Orbitals Alkyl Hydrophobic