Table 5.

Summary of molecular docking results of selected cannabinoids with DPP-IV allosteric site.

Compound	Docking score (kcal/mol)	Hydrogen bond	Binding interactions	Interacting residues
CBD	−7.3	ILE102	van der Waals, Hydrogen bonds, Pi-sigma, Pi-alkyl, Alkyl	GlY99, HIS100, ASN92, PHE95, LEU90, ASP96, ILE76, ILE102, ASN74
CBG	−6.5		van der Waals, Pi-Pi T shaped, Pi-alkyl, Alkyl	ASN562, PRO510, SER511, LYS512, PRO475, LEU514 ASP556, GLN527, PHE559, ALA564, ILE529, ARG560, VAL558
CBN	−8.0	ILE102	van der Waals, Hydrogen bonds, Pi-sigma, Pi-donor, Pi-alkyl, Alkyl	ASN74, ILE76, LEU90, GLU91, ASN92, PHE95, ASP96, ILE102, TYR105, LEU116,
THC	−8.0	PHE95	van der Waals, Hydrogen bonds, Pi-sigma, Pi-alkyl, Alkyl	LYS71, ASN74, ILE76, LEU90, GLU90, GLU91, ASN92, THR94, PHE95, ASP96, HIS100, ILE102,