First GC/MS Profiling and Cytotoxic Evaluation of Physalis acutifolia (Solanaceae) Essential Oils: Insights From Molecular Docking and ADME Predictions

The Solanaceae family, particularly the genus Physalis , is a rich source of anticancer bioactive compounds. This study first reports the chemical composition of essential oils (EOs) obtained from fruits (FO), leaves (LO), and a leaf‐fruit mixture (LFO) of Physalis acutifolia using gas chromatography‐mass spectrometry. Major components include hexadecanoic acid (36.51% in LO), phytol (32.54% in LFO), and heptacosane (31.37% in FO). Cytotoxic activity was assessed against four human cancer cell lines: A375 (malignant melanoma), T98G (glioblastoma multiforme), MDA‐MB‐231 (breast adenocarcinoma), and HCT116 (colon carcinoma). LO exhibited potent antiproliferative effects on A375 (IC50 = 9.06 µg/mL). Molecular docking simulations suggest that hexadecanoic acid may activate peroxisome proliferator‐activated receptor alpha (PPARα), while homosalate shows a high‐affinity binding to platelet‐derived growth factor receptor alpha (PDGFRA). Absorption, distribution, metabolism, and excretion (ADME) predictions indicate drug‐like properties for ar‐turmerol. These findings highlight the anticancer potential of P. acutifolia EOs as candidates for future pharmaceutical examination.