GC–MS profiling, antioxidant activity, and in silico molecular docking analysis of Zingiber officinale and Alpinia purpurata: insights into anticancer potential

Cancer remains a major global health challenge, necessitating the exploration of novel and safer therapeutic agents. Medicinal plants are recognized as rich sources of bioactive compounds with diverse pharmacological properties. The present study investigated the phytochemical composition, antioxidant activity, and in silico interaction potential of Zingiber officinale and Alpinia purpurata . Crude extracts were prepared using solvents of varying polarity, followed by qualitative phytochemical screening and quantitative estimation of total phenolic and flavonoid contents. Gas chromatography–mass spectrometry (GC–MS) analysis was performed to identify bioactive constituents, and antioxidant activity was evaluated using the DPPH radical scavenging assay. Molecular docking analysis was conducted to assess the interaction of selected phytocompounds with cancer-related target proteins. Phytochemical screening revealed the presence of major bioactive groups, including flavonoids, terpenoids, phenolics, and alkaloids, with polar solvents (methanol and ethanol) extracting a broader range of compounds. Quantitative analysis showed measurable phenolic and flavonoid contents, while DPPH assay demonstrated concentration-dependent antioxidant activity, with ethanol extract of Z. officinale and methanol extract of A. purpurata showing the highest activity, comparable to the standard at higher concentrations. GC–MS analysis identified multiple compounds, with zingiberene and zingerone as major constituents of Z. officinale , particularly in ethanol and methanol extracts. Gingerol was detected in the chloroform extract. In A. purpurata , several compounds were tentatively identified, although some assignments may reflect limitations of spectral library-based identification. Molecular docking analysis indicated that zingiberene exhibited stable binding with target proteins (CDK2, Bcl-2, and p53), with the strongest interaction observed with Bcl-2. These interactions were predominantly governed by hydrophobic forces. Overall, the findings demonstrate that the studied plant extracts possess antioxidant activity and contain bioactive compounds capable of stable interactions with cancer-related proteins in silico. However, these results are preliminary, and further validation through cytotoxic and in vivo studies is required to establish biological efficacy.