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. 2022 Feb 5;15:355–366. doi: 10.2147/JPR.S351513

Table 3.

Docking Score of Interaction of β-Caryophyllene with Agonist Binding Sites of Different Pain Receptors

Receptor Binding Energy kJ/mol Ligand Efficiency Inhibitory Constant (µM) Vdw_hb_Desolv_Energy Interactions
Cannabinoid receptor 2 (CB2) −7.83 −0.52 1.81 −7.84 Ile186, Ile110, Trp194, Phe281, Val113, Phe183, Thr114
Cannabinoid receptor 1 (CB1) −5.16 −0.34 165.22 −5.16 Phe191, Gly194, Gly195, Ala198, Ile245, Val249
PPAR-α −6.66 −0.44 13.05 −6.67 Ile241, Leu247, Glu251, Leu254, Arg271, Ile272, Cys275, Val332, Ala333
TRPV1 −7.58 −0.51 2.8 −7.57 Phe488, Arg491, Gly492, Glu513, Phe516, Tyr554