Unlocking nature’s arsenal: Exploring the molecular interactions of Tinospora cordifolia phytochemicals with anti-apoptotic receptor proteins

Indigenous medicinal plants frequently undergo diverse experiments aimed at discovering new drugs. Tinospora cordifolia (TC), commonly known as Giloy, is a climbing plant primarily found in the Indian subcontinent and belongs to the Menispermaceae family. In the present study, a wide array of phytochemical compounds falling into categories such as alkaloids, steroids, sesquiterpenoids, diterpenoids, phenolics, aliphatic compounds, and polysaccharides, among others, as documented in various sources, were subjected to molecular docking with well- established receptors associated with cancer progression. The results revealed that certain phytochemical compounds, including syringin, neotigogenin, and cordifolin, displayed the high binding energy with different receptors such as solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand (2O22), structure of the BIR domain of IAP-like protein 2 (1XBO), structure of BIRC7-UbcH5b-Ub complex (4AUQ), and crystal structure of Human Hsp90 with RL1 (4L8Z). Hence, it is reasonable to propose that these compounds may hold promise as potential anti-cancer agents, as they exhibit the potential to interfere with the activity of these receptors, potentially leading to their downregulation.

Keywords: Anticancer; bioactive compounds; Giloy; molecular docking; phytochemicals.