Prières à l'usage de la communauté des Filles de la Charité

Contient une table des matièresAvec mode text

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

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

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_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_939123.1 (smpB, SsrA-binding protein).

<p>Compounds/Libraries name, MolDock scores and predicted hydrogen bonds for the selected molecules against NP_939123.1 (smpB, SsrA-binding protein).</p