Bioactive compounds from Vellozia pyrantha A.A.Conc: A metabolomics and multivariate statistical analysis approach

The chemical composition of V. pyrantha resin (VpR) and fractions (VpFr1-7 and VpWS) were assessed by LC-MS and NMR. Twenty-eight metabolites were identified, including 16 diterpenoids, seven nor-diterpenoids, one fatty acid, one bis-diterpenoid, one steroid, one flavonoid, and one triterpenoid. The pharmacological potential of VpR, VpFr1-7, and isolated compounds was assessed by determining their antioxidant, antimicrobial, and cytotoxic activities. VpFr4 (IC₅₀ = 205.48 ± 3.37 μg.mL^-1) had the highest antioxidant activity, whereas VpFr6 (IC₅₀ = 842.79 ± 10.23 μg.mL^-1) had the lowest. The resin was only active against Staphylococcus aureus (MIC 62.5 μg.mL^-1) and Salmonella choleraesius (MIC and MFC 500 μg.mL^-1), but fractions were enriched with antibacterial compounds. V. pyrantha resin and fractions showed great cytotoxic activity against HCT116 (IC₅₀ = 20.08 μg.mL^-1), HepG2 (IC₅₀ = 20.50 μg.mL^-1), and B16-F10 (12.17 μg.mL^-1) cell lines. Multivariate statistical analysis was used as a powerful tool to pinpoint possible metabolites responsible for the observed activities.