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. 2023 Mar;23(1):23–36. doi: 10.4314/ahs.v23i1.4

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
-