Predicted pose from the docking analysis showed the binding orientation map of important amino acids for analogue D9, showing hydrogen bond interaction (green color), including π–π stacking (pink color).</p
<p>A, B, C, and D represented the molecular docking of D207A, D207N, E218A, and E218N mutants, respe...
<p>2D and 3D docking pose showing interaction for compound 1b in the binding site of DNA gyrase B cr...
<p>(A) 2D molecular docking modeling of compound <b>C6</b> with 3PSD. (B) 3D model of the interactio...
<p>Residue Interaction based on color code: Magenta-Electrostatic Interaction; Green – Van der Waals...
Hydrophobic and polar amino acids are shown in green and purple circles, respectively. Interactions ...
<p>The binding modes (A) C15 (B) Hit 1 (C) Hit 2 and (D) Hit 3 at the active site of the enzyme. The...
<p>Three dimensional models (A and B) of (+)-lentiginosine (1, yellow) and (−)-lentiginosine (2, gre...
<p>All of the panels in this figure and in <a href="http://www.plosone.org/article/info:doi/10.1371/...
<p>The binding modes of (A) Hit 1 (B) Hit 2 (C) Hit 3 and (D) Hit 4 at the active site of the enzyme...
<p>Comparison of binding modes predicted by docking for known active ligands and decoys to the refer...
(A) Docking results of beta sitosterol targeting AKT2; (B) Docking results of beta sitosterol target...
<p>(A) Interaction between PDE4 and compound 1 as predicted by molecular docking. (B) Interaction be...
AbHeR and AbGS are indicated as transparent cyan and red helices, respectively. The distances betwee...
<p><b>Panel A</b>: Docking pose of <b>1</b> in the OASS-A binding pocket. Red and green contours ide...
Here, the stick representations of ligands denote the superimposed view of docked (pink) and co-crys...
<p>A, B, C, and D represented the molecular docking of D207A, D207N, E218A, and E218N mutants, respe...
<p>2D and 3D docking pose showing interaction for compound 1b in the binding site of DNA gyrase B cr...
<p>(A) 2D molecular docking modeling of compound <b>C6</b> with 3PSD. (B) 3D model of the interactio...
<p>Residue Interaction based on color code: Magenta-Electrostatic Interaction; Green – Van der Waals...
Hydrophobic and polar amino acids are shown in green and purple circles, respectively. Interactions ...
<p>The binding modes (A) C15 (B) Hit 1 (C) Hit 2 and (D) Hit 3 at the active site of the enzyme. The...
<p>Three dimensional models (A and B) of (+)-lentiginosine (1, yellow) and (−)-lentiginosine (2, gre...
<p>All of the panels in this figure and in <a href="http://www.plosone.org/article/info:doi/10.1371/...
<p>The binding modes of (A) Hit 1 (B) Hit 2 (C) Hit 3 and (D) Hit 4 at the active site of the enzyme...
<p>Comparison of binding modes predicted by docking for known active ligands and decoys to the refer...
(A) Docking results of beta sitosterol targeting AKT2; (B) Docking results of beta sitosterol target...
<p>(A) Interaction between PDE4 and compound 1 as predicted by molecular docking. (B) Interaction be...
AbHeR and AbGS are indicated as transparent cyan and red helices, respectively. The distances betwee...
<p><b>Panel A</b>: Docking pose of <b>1</b> in the OASS-A binding pocket. Red and green contours ide...
Here, the stick representations of ligands denote the superimposed view of docked (pink) and co-crys...
<p>A, B, C, and D represented the molecular docking of D207A, D207N, E218A, and E218N mutants, respe...
<p>2D and 3D docking pose showing interaction for compound 1b in the binding site of DNA gyrase B cr...
<p>(A) 2D molecular docking modeling of compound <b>C6</b> with 3PSD. (B) 3D model of the interactio...