Unveiling Anticancer Phytoconstituents: A Comprehensive Review of GC–MS Applications in Natural Products

Cancer remains a significant global health challenge characterized by the uncontrolled proliferation of malignant cells. While conventional treatments such as chemotherapy and radiotherapy are effective, they often cause severe side effects, driving interest in alternative therapies derived from medicinal plants. These plants are rich in bioactive compounds, including terpenoids, phenolics, and flavonoids, which exhibit promising anticancer properties. This review focuses on gas chromatography–mass spectrometry (GC–MS) for identifying and characterizing these phytochemicals, highlighting its value in natural product research due to its precise separation and identification capabilities. An analysis of over 30 studies identified key compounds with significant cytotoxic effects. Limonene (IC₅₀: 47–57.34 µg/mL for A549, HepG2, CaCo, and PANC-1 cells), squalene (IC₅₀: 26.22 µg/mL for JURKAT), sesamin (IC₅₀: 52–57.2 µg/mL for MCF-7 and HCT116 cells), and β-caryophyllene (IC₅₀: 19.4–58.2 µg/mL for ME-180 and MCF-7 cells) have exhibited potent anticancer activities. Despite its advantages, GC-MS realizes limitations, including difficulty in differentiating structural isomers and detecting low-abundance compounds. Integrating GC–MS with complementary analytical techniques can overcome these challenges and enhance phytochemical profiling. Addressing bioavailability challenges and conducting clinical trials is essential for translating these promising findings into effective cancer therapies. These findings underscore the therapeutic potential of phytochemicals as safer alternatives to conventional treatments.