GC–MS Screens Leaf Extract for Lung Cancer Drugs

Lung cancer is one of the leading causes of cancer deaths around the world. A major reason for it being so hard to treat is that cancer cells often avoid the body's natural self-destruct process for damaged cells, called apoptosis, by producing too much of certain proteins that block it. One of these proteins, BCL-XL, helps control whether a cell lives or dies, which makes it an important target for cancer drugs. In a recent study, researchers looked at whether natural compounds from the leaves of the Ailanthus excelsa tree could block BCL-XL. The team used gas chromatography–mass spectrometry (GC–MS) to identify the compounds in a leaf extract, then tested their potential using both computer modeling and laboratory experiments on cells. A paper based on the research was published in the journal Frontiers in Medicine.¹

Why Did the Researchers Study Ailanthus excelsa as a Possible Cancer Treatment?

Scientists are increasingly interested in using natural compounds from medicinal plants to treat cancer, and there is growing evidence to support the idea. These plant compounds tend to be less toxic, are more easily absorbed and used by the body, and can act on several of the processes that drive cancer cells to multiply out of control.^2-5 One medicinal plant that caught the research team’s interest is Ailanthus excelsa, often called the "Tree of Heaven." It has a variety of health-related effects, including reducing inflammation, protecting cells from damage, and fighting cancer. In the Chhattisgarh region of India, people have long used it as a traditional cancer remedy.^6-9

“Despite its pharmacological importance,” write the authors of the paper,¹ “the anticancer potential of the phytoconstituents present in the leaves of A. excelsa remain underexplored. Phytochemical analysis of A. excelsa by GC–MS enables the investigation of small-molecule bioactive compounds that can be screened for their ability to bind to the BCL-XL protein, thereby modulating its functions.”

Can Compounds from Ailanthus excelsa Leaves Fight Lung Cancer?

The researchers first picked out the compounds most likely to behave well as drugs in the body, based on how they would be absorbed, distributed, and processed. They then used computer modeling to see how well these compounds fit into the BCL-XL protein and ran 100-nanosecond simulations to watch how the protein and compound moved and held together over time. Several follow-up analyses helped them judge how stable the pairing was and how the protein's shape shifted. Finally, they tested the leaf extract on lung cancer cells in the laboratory to see whether it could kill them.¹

GC–MS identified 32 major active compounds in the extract. Two of them, a modified form of decane and squalene, stood out as the most drug-like and were chosen for closer study. The computer models showed that both compounds fit into the same pocket on BCL-XL that the protein uses to block cell death, holding on mainly through water-repelling interactions. The simulations confirmed that both compounds stayed firmly attached and kept the protein compact, with only small movements near that pocket, suggesting a strong, stable fit. The two compounds affected the protein differently, however: squalene allowed it to shift between several shapes, while the decane compound kept it more rigid. In the laboratory tests, the leaf extract killed lung cancer cells, and higher doses killed more of them, pointing to its potential as a source of anticancer compounds.¹

“This study,” write the authors of the paper,¹ “emphasizes the therapeutic potential of phytocompounds as natural inhibitors of BCL-XL. The integration of GC–MS profiling, molecular docking, molecular dynamics simulations, and in vitro studies provides a comprehensive strategy for the identification of plant-derived lead molecules targeting critical cancer pathways. Further in vivo investigations and molecular validations would provide better insights into BCL-XL-targeted phyto-therapeutics for lung cancer.”

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References

1. Ali, A.; Kumar, A.; Anwar, S. et al. Targeting BCL-XL-mediated Apoptotic Resistance in Lung Cancer: in silico and in vitro Identification of Bioactive Inhibitors from Ailanthus excelsa Chloroform Extract. Front Med (Lausanne) 2026, 13, 1925157. DOI: 10.3389/fmed.2026.1925157
2. Aggarwal, B. B.; Ichikawa, H.; Garodia, P. et al. From Traditional Ayurvedic Medicine to Modern Medicine: Identification of Therapeutic Targets for Suppression of Inflammation and Cancer. Expert Opin Ther Targets 2006, 10 (1), 87-118. DOI: 10.1517/14728222.10.1.87
3. Sharma, P.; Sudan, R.; Mishra, A. et al. Ayurvedic Medicinal Plants for Cancer Treatment: Current Insights and Future Perspectives. Ayush J Integr Oncol. 2025, 2(2):68–76. DOI: 10.4103/ajio.ajio_14_25
4. Jain, R.; Kosta, S.; Tiwari, A. Ayurveda and Cancer. Pharmacognosy Res. 2010, 2 (6), 393-394. DOI: 10.4103/0974-8490.75463
5. Bozzuto, G.; Calcabrini, A.; Colone, M. et al. Phytocompounds and Nanoformulations for Anticancer Therapy: A Review. Molecules 2024, 29 (16), 3784. DOI: 10.3390/molecules29163784
6. Sapkal, P. R.; Tatiya, A. U.; Firke, S. D. et al. Phytochemical Profile, Antioxidant, Cytotoxic and Anti-inflammatory Activities of Stem Bark Extract and Fractions of Ailanthus excelsa Roxb.: In vitro, in vivo and in silico Approaches. Heliyon 2023, 9 (5), e15952. DOI: 10.1016/j.heliyon.2023.e15952
7. Nair, S.; Tutakne, N. Evaluation of Antibacterial, Antioxidant and Seed Germination Potential of Biosynthesized Silver Nanoparticles from Bark Extract of Ailanthus excelsa roxb. J. Plant Sci Res. 2023, 39 (1), 17–28. DOI:10.32381/JPSR.2023.39.01.2
8. Loizzo, M. R.; Said, A.; Tundis, R. et al. Inhibition of Angiotensin Converting Enzyme (ACE) by Flavonoids Isolated from Ailanthus excelsa (Roxb) (Simaroubaceae). Phytother Res. 2007 Jan;21(1):32-6. DOI: 10.1002/ptr.2008
9. Prasad, N.; Quamar, M. F. Modern Pollen–Vegetation Relationship from the Mahasamund District (Chhattisgarh), Central India: Implications for Palaeoecological Reconstruction. Grana 2023, 62(5–6). 317–330. DOI: 10.1080/00173134.2023.2280579