Brazilin from Caesalpinia sappan L. as a Proprotein Convertase Subtilisin/Kexin Type 9 (PCSK9) Inhibitor: Pharmacophore-Based Virtual Screening, In Silico Molecular Docking, and In Vitro Studies

<div>The visualization of the best molecular docking results from candidate compounds. (a, b) Brazilin-PCSK9 (−9.0 kcal/mol). (c, d) Alizarin-PCSK9 (−8.4 kcal/mol). (e, f) Morinda-PCSK9 (−8.4 kcal/mol). (g, h) Ligand cocrystal (−8.4 kcal/mol). Interactions are represented in color, purple: pi-sigma; green: conventional hydrogen bond; light green: carbon hydrogen bond; turqoise: halogen (fluorine); red: unfavorable donor-donor; pink: alkyl and pi-alkyl; and orange: pi-cation.</div>

Advances in Pharmacological and Pharmaceutical Sciences

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Figure 2: Brazilin from Caesalpinia sappan L. as a Proprotein Convertase Subtilisin/Kexin Type 9 (PCSK9) Inhibitor: Pharmacophore-Based Virtual Screening, In Silico Molecular Docking, and In Vitro Studies

Figure 2 | Brazilin from Caesalpinia sappan L. as a Proprotein Convertase Subtilisin/Kexin Type 9 (PCSK9) Inhibitor: Pharmacophore-Based Virtual Screening, In Silico Molecular Docking, and In Vitro Studies 