Table 5.
H-bond and hydrophobic interaction between high binding score compounds and receptors
| Drugs | H-Bond Interactions | Hydrophobic Interactions |
| Bictegravir | HIS41, LEU141, CYS145, HIS164 |
- |
| Emtricitabine | MET49, TYR54 | HIS41, CYS44, PRO52, GLY143, CYS145, HIS164, MET165, GLU166, ASP187, ARG188, GLN189 |
| Entecavir | THR26, LEU141, HIS163, GLY144, GLU166 |
THR25, LEU27, HIS41, MET49, PHE140, ASN142, MET165, HIS170 |
| Lamuvidune | ASP187 | HIS41, PRO52, TYR54, GLY143, CYS145, HIS164, MET165, GLU166, ARG188, GLN189 |
| Tenofovir | HIS41, CYS145, LEU141, ASN142, GLY143, GLU166 |
THR26, LEU27, TYR54, PHE140, SER144, HIS163, MET165, HIS172, ASP187, ARG188, GLN189, THR190, GLN192 |
| Oseltamivir | CYS145, GLU166, GLN189 | THR25, LEU27, TYR54, PHE140, GLY143, HIS163, HIS164, HIS172, ASP187, ARG188 |
| Ribavirin | HIS41, LEU141, CYS145, HIS164 |
MET49, PHE140, ASN142, GLY143, GLU166, MET165, HIS172, ASP187, ARG188, GLN189 |
| Favipiravir | LEU141, GLY143, SER144, CYS145, GLU166 |
PHE140, ASN142, HIS163, MET165 |
| Hydroxychloroquine | GLU166, GLN189, THR190 | HIS41, PHE140, LEU141, ASN142, GLY143, SER144, HIS164, MET165, HIS172 |
| Lopinavir | MET165, GLU166, GLN189 | TYR24, THR25, THR26, MET49, PHE140, LEU141, ASN142, GLY143, SER144, LEU167, ARG188, THR190, GLN192 |
| Remdevisir | THR26, PHE140, LEU141, GLU166 |
THR25, LEU27, ASN142, GLY143, SER144, CYS145, HIS163, HIS164, HIS172, ARG188, GLN189 |
| Ritonavir | LYS5, ASN133, ASP197, GLU288 |
- |