In Silico Analysis of Antiviral Activity and Pharmacokinetic Prediction of Brazilein Sappan Wood (Caesalpinia sappan L.) Against SARS-CoV-2 Spike Glycoproteins

Brazilein is one of the secondary sappan wood metabolites which can be used empirically as an antivirus. The SARS-CoV-2 spike (S) glycoproteins play significant roles in attaching and entering virus into host cell. This study aims to predict antiviral activity pharmacokinetic properties brazilein against in-silico S with vitamin C reference compound. Molegro Virtual Docker 5.5 was by docking process. glycoprotein NAG ligand available Protein Data Bank (PDB) (PDB ID: 7C01) receptor used. pkCSM online tool toxicity brazilein. were analyzed on target receptors comparing bond energies between NAG, brazilein, C. smaller ligands’ energy receptor, more stable bonds are. -59.2864 kcal/mol, -65.8911 -53.9093 respectively. These results suggested that has a greater capacity antivirus compared In silico test using demonstrated had strong relatively low toxicity.