Phytocompounds screening of Nigella sativa in terms of human cancer by targeting sphingosine kinase-1 and pyruvate kinase-M2: a study based on in silico analysis.
Scientists have discovered that certain plant compounds, such as epicatechin, apigenin, and kaempferol, have anticancer properties. These compounds were tested against two important proteins found in cancer cells, sphingosine kinase-1 (SK-1) and pyruvate kinase-M2 (PK-M2). Using advanced computational tools, researchers predicted the potential effectiveness, toxicity, and binding of these compounds. Molecular dynamics simulations confirmed that these compounds interact with the proteins, suggesting their potential for combatting cancer. This research provides valuable insights into developing new treatments for this complex disease.
- Ahmed S and Tabish M (2023).
- J Biomol Struct Dyn.
- PubMed:
- 37194426