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) |