14 research outputs found
3D X-Ray crystallographic structures of the selected breast cancer target protein receptors and extended and detailed version of the materials and methodology employed including additional references.
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Interaction of ERĪ± (PDB: 6CBZ) with Ashwagandhanolide and Withanolide sulfoxide.
Three-dimensional (3D) illustration shows the interaction of ligands with ERĪ± structure and two-dimensional (2D) diagram displays the interactions of the ligand with the specific amino acid residues in the active site of the protein.</p
Chemical structural properties of Ashwagandhanolide.
Chemical structural properties of Ashwagandhanolide.</p
Interaction of human p73 tetramerization domain (PDB: 2WTT) with Ashwagandhanolide and Withanolide Sulfoxide.
Three-dimensional (3D) illustration shows the interaction of ligands with human p73 tetramerization domain structure and two-dimensional (2D) diagram displays the interactions of the ligand with the specific amino acid residues in the active site of the protein.</p
Analysis of RMSD (A), Rg (B), SASA (C) and Hydrogen (D) graphs of TOP2A (PDB: 5GWK) in complex with Ashwagandhanolide (Back color indicating protein alone and Red indicating protein-ligand complex).
Analysis of RMSD (A), Rg (B), SASA (C) and Hydrogen (D) graphs of TOP2A (PDB: 5GWK) in complex with Ashwagandhanolide (Back color indicating protein alone and Red indicating protein-ligand complex).</p
Molecular docking results of phytochemicals isolated from <i>W. somnifera</i> against four different proteins expressed during breast cancer.
Molecular docking results of phytochemicals isolated from W. somnifera against four different proteins expressed during breast cancer.</p
Z-score for the model of the structure of multiple proteins generated by ProSA web tool.
Z-score for the model of the structure of multiple proteins generated by ProSA web tool.</p
Graphical representation of the dual descriptor DD of Ashwangandhanolide.
Top: DD > 0, Bottom: DD < 0.</p
Interaction of human TOP2A (PDB: 5GWK) with Ashwagandhanolide and Withanolide sulfoxide.
Three-dimensional (3D) illustration shows the interaction of ligands with human TOP2A structure and two-dimensional (2D) diagram displays the interactions of the ligand with the specific amino acid residues in the active site of the protein.</p
Ramachandran plot for the model of the structure of ERĪ± (PDB: 6CBZ) and human 17Ī²-HSD1 (PDB: 1FDW) proteins generated by PROCHECK.
The red color region denotes residues of the protein in the most favored regions; the brown color denotes residues in the additional allowed regions and the yellow indicates residues in the generously allowed regions.</p