Piyali Basak, Tathagata Adhikary
Journal: Current computer-aided drug design 2024;20(5):653-665
PMID: 37850546
BACKGROUND
The interconnection between different fields of research has gained interest due to its cutting-edge perspectives in solving scientific problems. is indigenously used in India for curing several diseases, and its pharmacological activities are being revisited in recent drug-repurposing research.
OBJECTIVES
Efficient ultrasound-assisted extraction of phytochemicals from the bark of is highlighted in this study. Following the optimization of the extraction process, the crude hydroethanolic extract is subjected to phytochemical profiling and an investigation of its anti-cancer properties.
MATERIALS AND METHODS
A three-level four-factor Box-Behnken design is exploited to optimize four operational parameters, namely extraction time, ultrasonic power, ethanol concentration (as the extracting solvent) and solute (in g): solvent (in mL) ratio. At the optimum parametric condition, the crude extract is obtained, and its GC-MS analysis is carried out. An analysis of network pharmacology (by constructing and visualizing biological networks using Cytoscape) combined with molecular docking reveals the potential antineoplastic targets of the crude extract.
RESULTS
The ANOVA table exhibits the significance, adequacy and reliability of the proposed second-order polynomial model with the R² value of 0.917 and adjusted R² of 0.865. Experimental results portray the significant antioxidant potential of the prepared extract in its crude form. The GC-MS analysis of the crude extract predicts the extracted phytochemicals, while the constructed biological networks highlight its multi-targeted activity in colorectal cancer.
CONCLUSION
The study identifies three phytochemicals . luteolin, β-sitosterol and arjunic acid as potent anti-cancer agents and can be extended with and experiments to validate the results, thus establishing lead phytochemicals in multi-targeted colorectal cancer therapies.
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