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

Table 4

Docking results candidate compound.

Candidate compound	PubChem CID	Binding affinity (Kcal/mol)
Brazilin^a	73384	−9.0
Morindone^a	442756	−8.7
Ligand cocrystal^b	139592542	−8.4
Alizarin^a	6293	−8.4
Gartanin^a	5281633	−8.1
Mesuaxanthone^a	5281651	−8.0
Methoxykaempferol^a	5377945	−7.7
Gentisin^a	5281636	−7.7
n-Cis-feruloyltyramine^a	6440659	−7.7
Pterofuran^a	44260113	−7.4
Bethanidine^a	2368	−6.6
Beta phenetylamine^a	1001	−5.1

^aCandidate compound. ^bLigand cocrystal.