The study was led by Dr. Fujiati from the Doctoral Program of Medical Science at the Faculty of Medicine and Health Sciences, Universitas Lambung Mangkurat (ULM), together with a multidisciplinary team of medical and science researchers from the same university. Using advanced computational analysis, the team examined how bioactive compounds extracted from Paraboea sp. leaves interact with EGFR, a receptor known to drive tumor growth, invasion, and resistance to therapy when overactivated.
Why EGFR and Local Medicinal Plants Matter
Cancer remains one of the world’s leading causes of death, with global cases continuing to rise and treatment costs increasing sharply. In Indonesia and many other countries, access to advanced cancer therapies is often limited by cost and infrastructure. As a result, scientists are increasingly exploring ethnomedicinal plants as affordable and locally available sources of new therapeutic compounds.
Paraboea sp., locally known as limestone mistletoe, grows in the limestone mountain regions of Batulicin, South Kalimantan. For generations, local communities have used its leaves as a traditional anticancer remedy. Until now, however, there has been limited scientific validation of the plant’s molecular activity against cancer-related targets.
EGFR is a particularly important focus because it regulates cell proliferation, survival, and migration through pathways such as MAPK, PI3K/AKT, and STAT3. Abnormal EGFR signaling is associated with aggressive tumor growth and poor prognosis in several cancers, including lung, breast, and colorectal cancer. Identifying natural compounds that can bind to and inhibit EGFR could open new pathways for safer and more affordable cancer interventions.
How the Research Was Conducted
The research combined laboratory-based extraction with computational modeling. Leaves of Paraboea sp. were processed into an ethanol extract using a maceration method at ULM’s pharmacology laboratory. The chemical profile of the extract was then analyzed using ultra-high-performance liquid chromatography–mass spectrometry (UPLC-MS/MS) to identify its dominant secondary metabolites.
From this analysis, two compounds stood out: veronicastroside and vicenin-2. Both are plant-derived polyphenolic compounds previously reported to have antioxidant, anti-inflammatory, and anticancer-related properties in other species.
To evaluate their anticancer potential more precisely, the researchers used molecular docking simulations. This computational approach predicts how strongly a compound can bind to a target protein and how stable that interaction is. The docking was performed against the EGFR protein using established bioinformatics tools, allowing the team to estimate binding energy and structural stability without the need for immediate animal or human testing.
Key Findings at a Glance
The computational results showed that both compounds interact favorably with EGFR, with particularly strong results for veronicastroside.
Key results include:
- Veronicastroside showed a binding energy of –10.0 kcal/mol with EGFR, indicating a strong and energetically favorable interaction.
- Vicenin-2 demonstrated a binding energy of –9.0 kcal/mol, also within the range considered promising for inhibitor candidates.
- Structural stability, measured by root mean square deviation (RMSD), was 1.32 Å for veronicastroside and 1.98 Å for vicenin-2, both below the 2 Å threshold commonly used to indicate reliable and stable docking results.
- The compounds formed multiple hydrogen and hydrophobic bonds with key amino acids in EGFR’s extracellular domains, which are critical for receptor activation.
These values are comparable to those seen in some established EGFR inhibitors, suggesting that the natural compounds could meaningfully interfere with cancer-related signaling pathways.
What the Findings Mean in the Real World
The study does not claim to have discovered a ready-to-use cancer drug. Instead, it provides a scientifically grounded starting point for further research. By showing that veronicastroside and vicenin-2 can bind strongly and stably to EGFR in silico, the research helps narrow down which natural compounds are worth testing next in laboratory cell models and animal studies.
In practical terms, the findings could support:
- Development of ethnomedicine-based supplements that complement conventional cancer care, especially in resource-limited settings.
- Lower-cost drug discovery pathways, as computational screening reduces the need for expensive early-stage laboratory testing.
- Preservation and validation of local knowledge, linking traditional medicinal practices with modern biomedical science.
- Future pharmaceutical innovation, where plant-derived compounds inspire new generations of targeted cancer therapies.
Dr. Fujiati and her colleagues emphasize that computational results are an early step. Laboratory and clinical studies are still needed to confirm safety, dosage, and effectiveness in humans.
As stated by the research team from Universitas Lambung Mangkurat, the strong binding affinity and stability of veronicastroside suggest that “secondary metabolites from Paraboea sp. leaves have real potential to be developed further as supportive agents in cancer health management,” particularly as part of evidence-based traditional medicine.
About the Lead Author
Dr. Fujiati, MD, PhD candidate, is a medical researcher at the Faculty of Medicine and Health Sciences, Universitas Lambung Mangkurat, Banjarmasin, Indonesia. Her expertise includes pharmacology, ethnomedicine, and computational approaches to drug discovery, with a focus on natural products and cancer-related molecular targets.
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