(A) Docking results of beta sitosterol targeting AKT2; (B) Docking results of beta sitosterol targeting NFKB1; (C) Docking results of beta sitosterol targeting SIRT1; (D) Docking results of stigmasterol targeting AKT2; (E) Docking results of stigmasterol targeting NFKB1. Light pink represents protein receptors. Green represents small molecule ligands of compounds. Blue line represents hydrogen bonds between small molecule ligand and protein. Dark purple represents amino acid residues that have hydrogen bonds with small molecules of compounds.</p
<p>The best docking poses (light green) of compound 12 in adjusted protein structure of Apo (A), fir...
Molecular docking of 5H08 (PTPRZ) + (Luteolin + Ferulic acid); Ramachandran plots at left panel and ...
<p>Three dimensional models (A and B) of (+)-lentiginosine (1, yellow) and (−)-lentiginosine (2, gre...
<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>The binding modes (A) C15 (B) Hit 1 (C) Hit 2 and (D) Hit 3 at the active site of the enzyme. The...
<p>(A) Three-dimensional representation of the interactions of compound 13 and target protein. (B) P...
<p>(A) 2D molecular docking modeling of compound <b>C6</b> with 3PSD. (B) 3D model of the interactio...
<p>A, B and C are the three lowest binding poses, respectively. The polar contacts are presented as ...
<p>(A) Anacardic acid best-ranked docking pose in the TcSIR2rp1 productive form. (B) Aculeatin D bes...
Predicted pose from the docking analysis showed the binding orientation map of important amino acids...
<p>(A) 3D visualization of predicted drug binding to the DNA-binding domain (leucine zipper) of AP-1...
The results of molecular docking pose interactions between compounds and proteins.</p
<p>(A) Docking results overview, highlighting residues involved in binding interactions; Cut-through...
<p>Panel A: Human AKT1 is illustrated in cartoon representation and MK-2206 is in stick representati...
(A) Two-dimensional (2D) diagrams of TMPRSS2-estradiol interactions using Ligplot+. The figure provi...
<p>The best docking poses (light green) of compound 12 in adjusted protein structure of Apo (A), fir...
Molecular docking of 5H08 (PTPRZ) + (Luteolin + Ferulic acid); Ramachandran plots at left panel and ...
<p>Three dimensional models (A and B) of (+)-lentiginosine (1, yellow) and (−)-lentiginosine (2, gre...
<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>The binding modes (A) C15 (B) Hit 1 (C) Hit 2 and (D) Hit 3 at the active site of the enzyme. The...
<p>(A) Three-dimensional representation of the interactions of compound 13 and target protein. (B) P...
<p>(A) 2D molecular docking modeling of compound <b>C6</b> with 3PSD. (B) 3D model of the interactio...
<p>A, B and C are the three lowest binding poses, respectively. The polar contacts are presented as ...
<p>(A) Anacardic acid best-ranked docking pose in the TcSIR2rp1 productive form. (B) Aculeatin D bes...
Predicted pose from the docking analysis showed the binding orientation map of important amino acids...
<p>(A) 3D visualization of predicted drug binding to the DNA-binding domain (leucine zipper) of AP-1...
The results of molecular docking pose interactions between compounds and proteins.</p
<p>(A) Docking results overview, highlighting residues involved in binding interactions; Cut-through...
<p>Panel A: Human AKT1 is illustrated in cartoon representation and MK-2206 is in stick representati...
(A) Two-dimensional (2D) diagrams of TMPRSS2-estradiol interactions using Ligplot+. The figure provi...
<p>The best docking poses (light green) of compound 12 in adjusted protein structure of Apo (A), fir...
Molecular docking of 5H08 (PTPRZ) + (Luteolin + Ferulic acid); Ramachandran plots at left panel and ...
<p>Three dimensional models (A and B) of (+)-lentiginosine (1, yellow) and (−)-lentiginosine (2, gre...