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

Table 9.

Summary of α-Pinene, Doxorubicin, & Temozolomide docked with α-7 Nicotinic Receptor (3SQ9).

No. Protein Compound Binding Energy (Kcal/Mol) Inhibition constant (Ki) (mM) No. of
H-bonds
Amino Acid involved in interaction
1 α-7 nicotinic receptor (3SQ9) α-pinene -5.48 96.32 0 Arg4(B), Lys8(B), Tyr14(A), Asn15(A), Val18(A), Tyr62(A)
2 α-7 nicotinic receptor Doxorubicin -8.62 479.38 11 Glu9(B), Gln64(B), Trp65(B), Tyr70(B), Leu10(B), Asn13(B), His61(B), Glu69(B)
3 α-7 nicotinic receptor Temozolomide -6.02 38.37 6 Gln3(C), Arg4(C), Asn15(B), Val18(B), Tyr62(B)