The Cholesterol-Lowering Effect of Alisol Acetates Based on HMG-CoA Reductase and Its Molecular Mechanism

Figure 3

Interaction between alisol B 23-acetate and HMG-CoA reductase. (a) Overall pattern of interaction (alisol B 23-acetate is denoted by a bar chart). (b) Hydrogen bond graph of alisol B 23-acetate with Lys691 and Asp767 (the hydrogen bond is denoted by a dotted line). (c) Stacking chart of alisol B 23-acetate before and after docking (the initial structure is shown in green and the structure after docking is shown in purple). (d) Initial angle of alisol B 23-acetate C₂–C₁₀–C₁₉ and C₁₀–C₁₉–C₂₀. (e) Initial dihedral angle of alisol B 23-acetate C₂–C₁₀–C₁₉–C₂₀. (f) The angle of alisol B 23-acetate C₂–C₁₀–C₁₉ and C₁₀–C₁₉–C₂₀ after stacking. (g) The dihedral angle of alisol B 23-acetate C₂–C₁₀–C₁₉–C₂₀ after stacking. (h) Hydrophobic interface of the alisol B 23-acetate side chain and the peripheral amino acid residues after stacking (alisol B 23-acetate is denoted by yellow bars). (i) Hydrophilic interface of the alisol B 23-acetate side chain and the peripheral amino acid residues after stacking (alisol B 23-acetate is denoted by yellow bars).

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