TABLE 7.
Type of bonding and amino acid residues of target proteins that interact with drug compounds.
S.No | Receptors | Compounds | Binding affinity | Bonding type | Bond category | Amino acid residues |
---|---|---|---|---|---|---|
1 | PD-L1 | THC | −8.2 | Hydrogen | Conventional | ASN131 |
Hydrophobic | Alkyl | ALA137, VAL29,LYS129, ALA132, LEU106 | ||||
Pi-Alkyl | LYS129 | |||||
2 | PD1 | THC | −6 | Hydrogen | Conventional | ASP117 |
Hydrophobic | Pi-Sigma | ARG69 | ||||
Pi-Alkyl | PHE95 | |||||
Alkyl | PRO72 | |||||
3 | MMP9 | THC | −8.2 | Hydrogen | Conventional | PRO430 |
Carbon | GLU416 | |||||
Hydrophobic | Pi-Alkyl | HIS401 | ||||
4 | IL-6 | THC | −6.8 | Hydrophobic | Alkyl | ARG182, LEU178, LEU33, ILE36, LYS171 |
Pi-Alkyl | LEU33, LEU178 | |||||
5 | TNF-a | CBD | −7.7 | Hydrogen | Conventional | GLN102 |
6 | AGEs | THC | −6.9 | Hydrogen | Conventional | ARG69 |
Carbon | GLY75 | |||||
Hydrophobic | Amide-Pi Stacked | VAL95 | ||||
Alkyl | ARG94, PRO101, PRO104, ARG96 | |||||
Pi-Alkyl | ARG96 | |||||
CBD | −6.4 | Hydrophobic | Alkyl | ILE100, PRO101, ARG94, ARG96 | ||
Pi-Alkyl | ARG96 | |||||
7 | AKT1 | THC | −9.6 | Hydrophobic | Pi-Pi Stacked | TYR272 |
Alkyl | LYS268, VAL270, LEU264 | |||||
Pi-Alkyl | TRP80 |