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An integrative <i>in-silico approach</i> for therapeutic target identification in the human pathogen <i>Corynebacterium diphtheriae</i> - Fig 11
<p><b>A-I</b> 3D cartoon representation of the docking analyses for the most druggable protein cavity of <b>NP_939445.1</b> (<b>DIP1084,</b> Putative iron transport membrane protein, FecCD-family) with Jacarandic Acid (CID 73645). <b>A-II:</b> 3D surface representation of the docking analyses for the structure of Jacarandic Acid with <b>DIP1084,</b> Putative iron transport membrane protein. Figs <b>B-I, II, C-I, II</b> & <b>D-1, II D</b> represent same information for compounds 16-hydrazonisosteviol <b>ZINC13142972</b> and <b>ZINC70454922</b> respectively, for the same protein cavity.</p
Superposition of co-crystallized and Docked ligand; Dark Khaki represents the co crystallized ligand and Dark Cyan the re-docked conformation of the ligand.
<p>Superposition of co-crystallized and Docked ligand; Dark Khaki represents the co crystallized ligand and Dark Cyan the re-docked conformation of the ligand.</p
Compounds/Libraries name, MolDock scores and predicted hydrogen bonds for the selected molecules against NP_939445.1 (DIP1084, Putative iron transport membrane protein, FecCD-family).
<p>Compounds/Libraries name, MolDock scores and predicted hydrogen bonds for the selected molecules against NP_939445.1 (DIP1084, Putative iron transport membrane protein, FecCD-family).</p
Compounds/Libraries name, MolDock scores and predicted hydrogen bonds for the selected molecules against NP_938502.1 (bioB, Biotin synthase).
<p>Compounds/Libraries name, MolDock scores and predicted hydrogen bonds for the selected molecules against NP_938502.1 (bioB, Biotin synthase).</p
Strains of <i>C</i>. <i>diphtheriae</i> employed in the pan-modelome study with information on genomes statistics, disease prevalence and location of isolation.
<p>Strains of <i>C</i>. <i>diphtheriae</i> employed in the pan-modelome study with information on genomes statistics, disease prevalence and location of isolation.</p
Compounds/Libraries name, MolDock scores and predicted hydrogen bonds for the selected best-ranked molecules against NP_939302.1 (glpX, Fructose 1,6-bisphosphatase II).
<p>Compounds/Libraries name, MolDock scores and predicted hydrogen bonds for the selected best-ranked molecules against NP_939302.1 (glpX, Fructose 1,6-bisphosphatase II).</p
Compounds/Libraries name, MolDock scores and predicted hydrogen bonds for the selected molecules against NP_939345.1 (DIP0983, hypothetical protein DIP0983).
<p>Compounds/Libraries name, MolDock scores and predicted hydrogen bonds for the selected molecules against NP_939345.1 (DIP0983, hypothetical protein DIP0983).</p
Compounds/Libraries name, MolDock scores and predicted hydrogen bonds for the selected molecules against NP_939612.1 (hisE, Phosphoribosyl-ATP pyrophosphatase).
<p>Compounds/Libraries name, MolDock scores and predicted hydrogen bonds for the selected molecules against NP_939612.1 (hisE, Phosphoribosyl-ATP pyrophosphatase).</p
Compounds/Libraries name, MolDock scores and predicted hydrogen bonds for the selected molecules against NP_938900.1 (rpsH, 30S ribosomal protein S8).
<p>Compounds/Libraries name, MolDock scores and predicted hydrogen bonds for the selected molecules against NP_938900.1 (rpsH, 30S ribosomal protein S8).</p