Phytochemical and Docking Evaluation of Phyllanthus Niruri L. Extract Reveals Cytotoxic Potential Against Cervical and Breast Cancer Cells

Abstract

Phyllanthus niruri L., a widely used traditional medicinal plant, has been reported to possess various therapeutic properties, including anticancer potential. However, its direct cytotoxic effects on specific cancer cell lines such as HeLa (cervical cancer) and MDA-MB-231 (triple-negative breast cancer) remain underexplored. This study aimed to evaluate the anticancer efficacy of the aqueous leaf extract of Phyllanthus niruri against these cell lines using in vitro and in silico approaches. The MTT assay revealed that the extract induced significant dose-dependent cytotoxicity in both cell lines, with an IC₅₀ of 0.1924 µg/mL for HeLa and 0.017 µg/mL for MDA-MB-231, indicating a stronger effect on breast cancer cells even at lower concentrations. To further support the anticancer potential, antioxidant activity was assessed via DPPH free radical scavenging assay, which showed increased scavenging capacity with rising concentrations, suggesting the presence of bioactive phytochemicals. GC-MS analysis identified key phytoconstituents, including alkanes, alkenes, phenolic compounds, alcohols, thiadiazoles, and terpenes. Molecular docking studies were performed using the breast cancer target protein 6NM8, where most compounds exhibited weak to moderate binding affinities. Among these, 2-Hexyl-1-decanol showed the most promising interaction (-5.1 kcal/mol) with acceptable ADME properties. These findings highlight the cytotoxic efficacy of Phyllanthus niruri L., especially against MDA-MB-231 cells, and suggest its potential as a lead source for anticancer therapeutics. Further studies are warranted to isolate individual active compounds and elucidate their mechanisms of action.