Research Article
Antioxidant, Antimicrobial, Cytotoxic, and Protein Kinase Inhibition Potential in Aloe vera L.
Table 6
Energy values obtained during docking analysis of compounds as ligand molecules serine protease (PDB ID: 2HLC) enzyme as target molecules.
| | S. no. | mol | rseq | mseq | S | Rmsd-refine | E-conf | E-place | E-score1 | E-refine | E-score2 |
| | 1 | COMPD1_2HLC | 1 | 1 | -4.522 | 4.681 | 168.3 | -110.5 | -20.26 | -12.83 | -4.522 | | 2 | COMPD2_2HLC | 1 | 2 | -3.696 | 4.430 | 33.88 | -126.1 | -18.64 | -9.617 | -3.696 | | 3 | COMPD3_2HLC | 1 | 3 | -5.279 | 4.460 | 338.4 | -126.0 | -26.34 | -13.28 | -5.279 | | 4 | COMPD4_2HLC | 1 | 4 | -5.249 | 3.720 | 146.2 | -121.2 | -16.25 | -9.643 | -5.249 | | 5 | COMPD5_2HLC | 1 | 5 | -3.651 | 3.198 | 32.87 | -47.26 | -17.16 | -6.049 | -3.651 | | 6 | COMPD6_2HLC | 1 | 6 | -4.149 | 3.672 | 40.29 | -97.50 | -16.75 | -11.55 | -4.149 | | 7 | COMPD7_2HLC | 1 | 7 | -4.204 | 3.778 | 47.10 | -105.1 | -19.84 | -11.38 | -4.204 | | 8 | COMPD8_2HLC | 1 | 8 | -3.785 | 2.240 | -17.62 | -53.66 | -11.26 | -8.136 | -3.785 | | 9 | COMPD9_2HLC | 1 | 9 | -5.034 | 4.061 | 281.6 | -116.6 | -22.48 | -16.40 | -5.034 | | 10 | COMPD10_2HLC | 1 | 10 | -3.932 | 3.282 | 22.61 | -45.39 | -18.20 | -7.129 | -3.932 |
|
|
