<p>(A) Aurantiamide, (B) cnidiadin,(C) 2-hexadecenoic acid, and (D) Orlistat. Residues on which interactions are formed are labeled in yellow. Green dash lines and red solid lines depict H-bonds and pi-interactions, respectively. Corresponding distances of the interactions are also given.</p
<p>(A) Three-dimensional representation of the interactions of compound 13 and target protein. (B) P...
<p>A, B and C are the three lowest binding poses, respectively. The polar contacts are presented as ...
<p>Each ligand is colored by atom type (carbon and hydrogen: light grey; nitrogen: blue; oxygen: red...
<p>(A) Aurantiamide, (B) Cnidiadin, (C) 2-hexadecenoic acid, and, (D) Orlistat.</p
<p>(A) PNLIP binding site consists of two parallel hydrophobic regions and several residues for pi-i...
<p>(A) Coproporphyrinogen III (B) isopraeroside IV (C) scopolin (D) nodakenin. Orange solid lines an...
<p>(A) Saracatinib, (B) Isopraeroside IV, (C) 9HFG, and (D) aurantiamide. Hydrophobic interactions a...
<p>(A) The protein is depicted in surface view and ligand ZINC03984585 as stick in the binding pocke...
<p>(A)The protein is depicted in surface view and ligand ZINC08931589 as stick in the binding pocket...
*<p>: each letter denotes one interaction.</p><p>π: pi-interaction.</p><p>H: H-bond.</p
The PK was shown in cartoon and colored gray. The ThDP, ligands, and 2 key residues R442 and K605 we...
<p>(A) 2D molecular docking modeling of compound <b>C6</b> with 3PSD. (B) 3D model of the interactio...
<p>Both ligands are shown as sticks. (<b>A</b>) Overlay of the docked ligand GPP3 (cyan) by QMPLD an...
<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>Active site residues are shown in stick form. PD00519 and compound 1 are color-coded: green – PD0...
<p>(A) Three-dimensional representation of the interactions of compound 13 and target protein. (B) P...
<p>A, B and C are the three lowest binding poses, respectively. The polar contacts are presented as ...
<p>Each ligand is colored by atom type (carbon and hydrogen: light grey; nitrogen: blue; oxygen: red...
<p>(A) Aurantiamide, (B) Cnidiadin, (C) 2-hexadecenoic acid, and, (D) Orlistat.</p
<p>(A) PNLIP binding site consists of two parallel hydrophobic regions and several residues for pi-i...
<p>(A) Coproporphyrinogen III (B) isopraeroside IV (C) scopolin (D) nodakenin. Orange solid lines an...
<p>(A) Saracatinib, (B) Isopraeroside IV, (C) 9HFG, and (D) aurantiamide. Hydrophobic interactions a...
<p>(A) The protein is depicted in surface view and ligand ZINC03984585 as stick in the binding pocke...
<p>(A)The protein is depicted in surface view and ligand ZINC08931589 as stick in the binding pocket...
*<p>: each letter denotes one interaction.</p><p>π: pi-interaction.</p><p>H: H-bond.</p
The PK was shown in cartoon and colored gray. The ThDP, ligands, and 2 key residues R442 and K605 we...
<p>(A) 2D molecular docking modeling of compound <b>C6</b> with 3PSD. (B) 3D model of the interactio...
<p>Both ligands are shown as sticks. (<b>A</b>) Overlay of the docked ligand GPP3 (cyan) by QMPLD an...
<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>Active site residues are shown in stick form. PD00519 and compound 1 are color-coded: green – PD0...
<p>(A) Three-dimensional representation of the interactions of compound 13 and target protein. (B) P...
<p>A, B and C are the three lowest binding poses, respectively. The polar contacts are presented as ...
<p>Each ligand is colored by atom type (carbon and hydrogen: light grey; nitrogen: blue; oxygen: red...
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