Table 3 Intermolecular H bond between each compound with CHIKV nsP3.
From: Computational Approach Towards Exploring Potential Anti-Chikungunya Activity of Selected Flavonoids
Compound | Interacting residue | Distance (Å) | H bond (D-H—A) |
|---|---|---|---|
Baicalin | BACALIN:UNK1:H9 - 3GPG:LEU108:O | 2.17575 | H9-H–O |
BACALIN:UNK1:H18 - 3GPG:TYR142:O | 1.95727 | H18-H–O | |
3GPG:LEU108:HN - BACALIN:UNK1:O32 | 1.81482 | HN-H—O32 | |
3GPG:SER110:HN - BACALIN:UNK1:O18 | 1.8782 | HN-H-O18 | |
3GPG:THR111:HN - BACALIN:UNK1:O19 | 2.00969 | HN-H-O19 | |
3GPG:THR111:HG1 - BACALIN:UNK1:O19 | 2.42882 | HG1-H—O19 | |
Naringenin | 3GPG:SER110:HN - N:UNK1:O20 | 2.33122 | HN-H--O20 |
3GPG:THR111:HN - N:UNK1:O19 | 2.24548 | HN-H—O19 | |
Quercetagetin | 3GPG:CYS34:HN - Q:UNK1:O23 | 2.1684 | HN-H—O23 |
3GPG:LEU108:HN - Q:UNK1:O16 | 2.21037 | HN-H—O16 | |
3GPG:ARG144:HN - Q:UNK1:O14 | 2.02438 | HN –H—O14 | |
3GPG:ASP145:HN - Q:UNK1:O14 | 2.42109 | HN –H—O14 |
