Table 6. Intermolecular hydrogen bonds and hydrophobic residues showing close contact between receptor chikungunya virus proteins and ligand.
| Compound | Interacting Residue | H Bond
Distance (Å) |
H Bond
(D-H--A) |
Hydrophobic Residues |
|---|---|---|---|---|
| Catechin-5-O-gallate | Capsid:Glu260:OE1 - UNK900:het O4 | 2.567 | HOE1-H--O4 | His139, Val140, Asp161, Glu259, Trp261 |
| Capsid:Lys141:N - UNK900:het O9 | 2.927 | HN-H--O9 | ||
| Rosmarinic acid | Capsid:Trp261:O1 - UNK900.het H14 | 2.039 | HO1-H--H14 | His139, Val140, ASP161, Glu259 |
| Capsid:Trp261:O1 - UNK900.het H15 | 1.927 | HO1-H--H15 | ||
| Capsid:Lys141:2HZ - UNK900:het O8 | 2.375 | 2HNZ-H--O8 | ||
| Capsid:Lys141:3HZ - UNK900:het O5 | 1.987 | 3HNZ-H--O5 | ||
| Capsid:Glu260:OE1 - UNK900:het H4 | 1.712 | HOE1-H--H4 | ||
| Capsid:Glu260:OE1 - UNK900:het H5 | 1.658 | HOE1-H--H5 | ||
| Arjungenin | E3:Arg63:HNE - UNK900:het O6 | 2.720 | HNE-H--O6 | Pro5, Ser18, Glu19, Gln49, Ala53, Ser58, His60 |
| E3:Arg63:HN2 - UNK900:het O2 | 2.707 | HN2-H--O2 | ||
| E3:Gln52:OE1 - UNK900:het O1 | 3.108 | HOE1-H--O1 |