Exploring Sorghum and Foxtail Millet Compounds for Cancer-Fighting Potential

Jenn Hoskins
19th July, 2024

Exploring Sorghum and Foxtail Millet Compounds for Cancer-Fighting Potential

Graphical abstract of research.

Image adapted from: Verma et al. / CC BY (Source)

Key Findings

  • The study from Dr. Ambedkar Institute of Technology focused on the anticancer potential of phytochemicals in Sorghum and Foxtail millets
  • Six phytochemicals showed strong binding to the DHFR enzyme, which is crucial for cell growth and cancer proliferation
  • These phytochemicals demonstrated comparable binding efficiency to standard cancer drugs, suggesting their potential as effective cancer treatments
Breast and prostate cancer are leading causes of cancer-related deaths worldwide. Traditional treatment methods involve a combination of medication and dietary interventions. Recent research from Dr. Ambedkar Institute of Technology has focused on the anticancer potential of phytochemicals found in millet grains, specifically Sorghum bicolor (Sorghum) and Setaria italica (Foxtail)[1]. This study explores how these phytochemicals interact with Dihydrofolate reductase (DHFR), an enzyme crucial for cell growth and proliferation, to inhibit cancer cell growth. The study retrieved 50 phytochemicals from Sorghum and Foxtail millets through a literature survey and conducted molecular docking to assess their binding affinity with DHFR. Molecular docking is a method that predicts the preferred orientation of one molecule to a second when bound to each other to form a stable complex. The top-scoring phytochemicals were further analyzed for their interaction with the active site residues of DHFR, drug-likeness, and pharmacokinetic properties. Among the phytochemicals studied, caffeic acid, ferulic acid, hesperetic acid, stigmasterol, Cis-p-Coumaric acid, and luteolinidin demonstrated significant stability within the active site of DHFR. The docking scores for these compounds ranged from -5.4 to -6.7 kcal/mol, indicating a strong binding affinity. For comparison, the standard drugs flutamide and capecitabine showed docking scores of -7.5 and -8.1 kcal/mol, respectively. These results suggest that the phytochemicals have a comparable binding efficiency to the standard drugs used in cancer treatment. The study also employed density functional theory (DFT) based HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular Orbital) calculations to evaluate the stability of these phytochemicals with DHFR. DFT is a computational quantum mechanical modeling method used to investigate the electronic structure of molecules. The results confirmed that the selected phytochemicals maintained stable interactions with DHFR, reinforcing their potential as effective DHFR inhibitors. This study builds on previous research that has explored the role of bioactive compounds in targeting growth factor receptors (GFRs) in cancer cells[2]. GFRs are proteins on the surface of cells that bind to growth factors, triggering pathways that lead to cell growth and division. By inhibiting these receptors, cancer cell proliferation can be reduced. The current study expands this approach by focusing on DHFR, another critical enzyme in cell growth, and demonstrating that millet-derived phytochemicals can effectively inhibit its activity. The findings are particularly relevant in light of the global burden of cancer, which continues to rise[3]. According to GLOBOCAN 2018 estimates, there were approximately 18.1 million new cancer cases and 9.6 million cancer deaths worldwide in 2018. Breast and prostate cancers are among the most commonly diagnosed and are significant contributors to mortality. The study's results suggest that incorporating millet grains into the diet could offer a complementary approach to traditional cancer therapies, potentially reducing the incidence and mortality rates associated with these cancers. In summary, the research from Dr. Ambedkar Institute of Technology highlights the potential of Sorghum and Foxtail millet phytochemicals as DHFR inhibitors, providing a promising dietary intervention for breast and prostate cancer. The study's use of molecular docking, DFT calculations, and pharmacokinetic analysis offers a comprehensive evaluation of these compounds, paving the way for further in-vivo and clinical studies to validate their efficacy.

MedicineBiochemPlant Science

References

Main Study

1) Computational investigation of the anticancer potential of Sorghum bicolor and Setaria italica phytochemicals against dihydrofolate reductase (DHFR) enzyme

Published 18th July, 2024

https://doi.org/10.1186/s43170-024-00265-8

Related Studies

2) Molecular Docking of Phytochemicals Targeting GFRs as Therapeutic Sites for Cancer: an In Silico Study.

https://doi.org/10.1007/s12010-021-03791-7

3) Global cancer statistics 2018: GLOBOCAN estimates of incidence and mortality worldwide for 36 cancers in 185 countries.

https://doi.org/10.3322/caac.21492


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