Exploring the Anticancer Potential of Diospyros chloroxylon Roxb.: Insights from Phytochemical Profiling and In silico Docking studies

Plants produce secondary metabolites, including flavonoids and tannins, as a detoxification response. These polyphenolic compounds possess strong structural properties that neutralize excessive free radicals, enhancing the body's defence mechanisms. Scientific evidence supports their adaptogenic potential in managing stress-related chronic diseases. In this study, the ethanolic extract of Diospyros chloroxylon Roxb. studied for phytochemical profile using qualitative, quantitative, and analytical methods using preliminary phytochemical tests, total phenolic, flavonoid, and tannin content, and GC-MS and LC-MS respectively. The phytochemicals thus identified were subjected to in-silico docking studies using cancer targets, 1A52 and 1X7J. The extract also screened for antioxidant activity in scavenging DPPH and Nitric oxide radical scavenging assay. The phytochemical analyses identified several compounds, including terpenes, alcohols, sterols, and various phytochemicals like quercetin, betulinic acid, diospyrin, and xylospyrin. The extract exhibited significant antioxidant activity in scavenging DPPH and Nitric oxide radicals. In silico docking study explored the interactions of the identified phytochemicals with cancer targets, 1A52 and 1X7J. Xylospyrin in showed the highest binding scores for both targets, along with Daidzein and Ellagic acid. Notably, several phytochemicals exhibited consistent high binding scores for both cancer targets, highlighting their potential as versatile ligands for selected cancer-related proteins. These findings suggest that the phytochemicals present in Diospyros chloroxylon Roxb. hold promise as potent ligands for cancer targets. The observed biological activity may be attributed to the phenolic compounds, including flavonoids and tannins, warranting further research to explore the detailed pharmacological properties.