Multifaceted exploration of Guiera senegalensis J.F. Gmel.: Chemistry, bioactivity, and computational insights

Guiera senegalensis J.F. Gmel. is widely employed in African ethnomedicine for managing respiratory, microbial, and gastrointestinal disorders. This study aimed to provide a first-time, comprehensive in vitro evaluation of its biological activity, chemical composition, elemental safety, and molecular mechanisms supporting its therapeutic relevance. The ethanolic leaf extract of G. senegalensis ( GSEE ) was evaluated for antioxidant activity using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay and antibacterial efficacy against six pathogenic bacteria via the agar well diffusion method. Phytochemical characterization was performed using gas chromatography–mass spectrometry (GC–MS) and Fourier-transform infrared (FTIR) spectroscopy, while elemental composition was determined by inductively coupled plasma–mass spectrometry (ICP-MS). Molecular docking was conducted against bacterial protein targets, and pharmacokinetic and drug-likeness properties were assessed using SwissADME. GC–MS analysis identified 195 phytochemicals, with 23 major compounds accounting for over half of the extract, dominated by quinic acid and xanthene derivatives. FTIR spectra confirmed the presence of polyphenols, fatty acids, polysaccharides, and aromatic compounds associated with biological activity. GSEE exhibited strong antioxidant capacity (81.13%) and dose-dependent, broad-spectrum antibacterial activity, with pronounced inhibition of Staphylococcus aureus and Escherichia coli. ICP-MS revealed elevated levels of aluminum (Al), manganese (Mn), arsenic (As), and lead (Pb) beyond World Health Organization/Food and Agriculture Organization (WHO/FAO) limits, highlighting safety considerations. Docking studies identified two xanthene derivatives with high binding affinity across all bacterial targets. Absorption, distribution, metabolism, and excretion (ADME) analysis indicated favorable oral bioavailability, high gastrointestinal absorption, and acceptable drug-like profiles. These findings validate the traditional medicinal use of G. senegalensis and identify xanthene derivatives as promising antimicrobial leads. Further in vivo validation, toxicological evaluation, and structural optimization are warranted to advance clinical applicability • Guiera senegalensis extract showed strong antioxidant and antibacterial activities. • GC–MS revealed a chemically diverse profile rich in bioactive xanthene derivatives. • Molecular docking identified xanthene compounds with high bacterial target affinity. • Elemental analysis highlighted essential minerals and potential safety concerns. • Integrated in vitro–in silico approach supports therapeutic potential of the plant.