Figures & data
Table 1 Five BLAST aligned templates of HSPB8 with identity, query coverage, and E-values
Figure 1 Root mean square deviation (RMSD) versus time.
Figure 2 Root mean square fluctuation (RMSF), showing residue fluctuations.
Figure 3 Average root mean square deviation (RMSD) values per frame.
Figure 4 Predicted HSPB8 structure simulated at 30 nanoseconds.
Table 2 Compounds investigated in this study
Figure 5 2-D structures of investigated drugs.
Table 3 Bioinformative details and ligand properties of top four screened compounds
Figure 6 2-D structures of novel molecules.
Figure 7 The potential binding interactions of investigated drugs through LigPlot.
Figure 8 Binding pocket and interacting residues of novel molecules.
Figure 9 All the analyzed ligands bound at the same binding pocket in HSPB8.
