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. 2023;24(8):2601–2614. doi: 10.31557/APJCP.2023.24.8.2601

Table 7.

Summary of the Bioactive Compounds with Their Respective Receptors

No. Protein Compound Binding Energy (Kcal/Mol) Inhibition
constant (Ki) (mM)
No. of H-bonds Amino Acid involved in interaction
1 Cytochrome 2C9 P450 inhibitor (5A5J) Caryophyllene oxide -6.82 10.05 1 Ile205(A), Leu208(A), Glu300(A), Thr304(A), Leu361(A), Phe476(A)
2 α-7 nicotinic receptor (3SQ9) α-pinene -5.48 96.32 0 Arg4(B), Lys8(B), Tyr14(A), Asn15(A), Val18(A), Tyr62(A)
3 Mitogen-activated protein kinase 6 (6DTL) D-limonene -5.59 79.87 0 Lys191(A), Tyr229(A), Arg230(A), Leu234(A), Ile245(A)