Research Article
Antioxidant, Antimicrobial, Cytotoxic, and Protein Kinase Inhibition Potential in Aloe vera L.
Table 8
Energy values obtained during docking analysis of compounds as ligand molecules tyrosinase (PDB ID: 3NM8) enzyme as target molecules.
| | S. no. | mol | rseq | mseq | S | Rmsd-refine | E-conf | E-place | E-score1 | E-refine | E-score2 |
| | 1 | COMPD1_3NM8 | 1 | 1 | 7.123 | 2.412 | 318.7 | -131.1 | -19.68 | 126.5 | 7.123 | | 2 | COMPD2_3NM8 | 1 | 2 | -4.240 | 3.577 | 49.18 | -131.2 | -15.90 | 13.81 | -4.241 | | 3 | COMPD3_3NM8 | 1 | 3 | -4.964 | 6.082 | 338.2 | -153.2 | -23.94 | -14.51 | -4.965 | | 4 | COMPD4_3NM8 | 1 | 4 | -4.963 | 5.343 | 124.6 | -85.28 | -14.32 | -15.57 | -4.963 | | 5 | COMPD5_3NM8 | 1 | 5 | -2.949 | 3.719 | 56.49 | -96.54 | -15.63 | 25.46 | -2.949 | | 6 | COMPD6_3NM8 | 1 | 6 | -2.244 | 1.677 | 56.00 | -94.59 | -16.35 | 36.25 | -2.245 | | 7 | COMPD7_3NM8 | 1 | 7 | 1.947 | 2.255 | 160.5 | -135.3 | -18.75 | 82.87 | 1.948 | | 8 | COMPD8_3NM8 | 1 | 8 | -5.016 | 1.550 | -16.19 | -63.69 | -10.49 | -10.49 | -5.017 | | 9 | COMPD9_3NM8 | 1 | 9 | -4.328 | 3.061 | 306.2 | -138.3 | -19.44 | -9.012 | -4.328 | | 10 | COMPD10_3NM8 | 1 | 10 | -3.495 | 2.725 | 27.07 | -98.46 | -17.34 | 23.28 | -3.495 |
|
|
