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. 2023 Aug 25;31(10):101762. doi: 10.1016/j.jsps.2023.101762

Table 3.

Binding affinities, polar bonds, and hydrophobic interactions of phytochemicals (1-4) with XO.

Compound Affinity (kcal/mol) Polar bonds Hydrophobic interactions
1 −8.6 His741, Phe742 and Gln1194 His579, Leu744, Phe798, Gly1039, Gly1193, Val1200, Ile1229 and Ile1235
2 −9.8 Tyr592, His741 and Phe742 Gln585, Leu744, Phe798 Gly795, Gly1039, Gly1193 Gln1194, Gly1197, Val1200, Gln1201 and Ile1229
3 −8.6 Gln585, Leu744, Gly795, Phe798, Gly1197, Val1200, Gln1201, Ile1229 and Pro1230
4 −8.2 Gly1197 Phe742, Leu744, Gly795, Phe798, Val1200, Gln1201, Ile1229 and Pro1230