Table 10.
Summary of D-limonene, Doxorubicin, & Temozolomide docked with Mitogen-Activated Protein Kinase 6
| No. | Protein | Compound | Binding Energy (Kcal/Mol) | Inhibition constant (Ki) (mM) | No. of H-bonds | Amino Acid involved in interaction |
|---|---|---|---|---|---|---|
| 1 | Mitogen-activated protein kinase 6 (6DTL) | D-limonene | -5.59 | 79.87 | 0 | Lys191(A), Tyr229(A), Arg230(A), Leu234(A), Ile245(A) |
| 2 | Mitogen-activated protein kinase 6 | Doxorubicin | -5.58 | 81.68 | 8 | Val270(A), Arg297(A). Tyr298(A), Leu235(A), Asn237(A), Asp268(A), His269(A) |
| 3 | Mitogen-activated protein kinase 6 | Temozolomide | -4.84 | 282.85 | 8 | Ser238(A), Thr242(A), Pro333(A), Arg334(A) |