Phytochemical Profiling, Antioxidant Activity, and In Silico Analyses of Sterculia villosa and Vernonia patula

Abstract

Our study aims to evaluate the chemical profiles and antioxidant activities of a methanolic extract of Sterculia villosa bark (MESV) and a methanolic extract of the Vernonia patula whole plant (MEVP). The chemical profiling of MESV and MEVP was performed via gas chromatography-mass spectrometry (GC-MS), which identified 52 and 33 chemical compounds, respectively. The 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay indicated that both MESV and MEVP displayed concentration-dependent scavenging activities, and half-maximal inhibitory concentration (IC50) values for MEVP, MESV, and ascorbic acid were 305.30, 555.44, and 36.32 μg/mL, respectively. The total flavonoid content (TFC) and total phenolic content (TPC) of MESV were 81.44 ± 2.70 mg quercetin equivalents (QE)/g dry extract and 62.58 ± 1.93 mg gallic acid equivalent (GAE)/g dry extract, whereas these values for MEVP were 291.31 ± 6.61 mg QE/g dry extract and 58.99 ± 3.16 mg GAE/g dry extract, respectively. Molecular docking studies were also evaluated, and absorption, distribution, metabolism, and excretion (ADME) and toxicological properties were assessed. Therefore, these two plants, S. villosa and V. patula, showed potential options for further advanced studies into oxidative stress.