Fig. 5 in Anti-inflammatory, hepatoprotective and antioxidant activity of ellagitannin isolated from Melaleuca styphelioides

Fig. 5. Molecular docking binding model of human neutrophil elastase (HNE) with 1, its stereoisomer, related derivative and elastase inhibitors, (A) 1R; (B) 1S; (C) rhoipteleanin H; (D) HNE inhibitor GW475151 and (E) HNE inhibitor sivelestat. (Left panel) The ligand (sticks) is positioned according to the best binding interaction with HNE. Green dash lines are representing the hydrogen bonds between ligands and corresponding amino acids of the HNE active site. (Right panel) The main residues contributing to the binding are indicated by the respective amino acids three-letter abbreviations and number. Residues and dash lines in green, classical hydrogen bonding; yellow, carbon-hydrogen bonding; purple, hydrophobic bonding. Blue cloud represents solvent accessibility. (For interpretation of the references to colour in this figure legend, the reader is referred to the Web version of this article.)Published as part of Al-Sayed, Eman, Korinek, Michal, Esmat, Ahmed, Chen, Guan-Yu, Cheng, Yuan-Bin, Hsieh, Pei-Wen, Chen, Bing-Hung & Hwang, Tsong-Long, 2020, Anti-inflammatory, hepatoprotective and antioxidant activity of ellagitannin isolated from Melaleuca styphelioides, pp. 1-10 in Phytochemistry (112429) 177 on page 6, DOI: 10.1016/j.phytochem.2020.112429, http://zenodo.org/record/829597