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. 2017 Jun 2;12(6):e0178597. doi: 10.1371/journal.pone.0178597

Table 3. Score and molecular interactions between divanillin and the amino acid residues in BSA binding sites obtained by docking simulations.

Binding Site Molecular Interactions with Amino Acids Score (kJ mol-1)
I R194 R198 W213 S343 D450 -63.1
vdw HB NHπ HB HB
II N390 R409 Y410 L429 G433 L452 S488 -59.7
HB CHπ HB vdw vdw vdw vdw

Van der Waals (vdw), hydrogen bond (HB), π interaction with amino group (NH π), π interaction with CH group (CH π).