Phytochemical Analysis and Cytotoxic Effects of Phyllanthus polygonoides Leaf Extracts on Hepatocellular Carcinoma: A Combined In-Vitro and In-Silico Approach

Abstract

Hepatocellular carcinoma (HCC) is the most prevalent kind of liver cancer and a leading cause of cancer-related deaths worldwide. Treatment resistance and adverse effects often render HCC worse. With an emphasis on phytochemical analysis, antioxidant activity, and cytotoxic effects, this study investigates the possible anticancer characteristics of leaf extracts from Phyllanthus polygonoides. The methanolic extract showed considerable antioxidant activity by DPPH scavenging and notable cytotoxic effects in MTT tests. It also included flavonoids, phenols, tannins, alkaloids, quinones, and cardiac glycosides. The extract's capacity to fight cancer was validated using a wound-healing experiment. 25 phytocompounds were found using gas chromatography-mass spectrometry (GC-MS). Eight of the bioactive compounds were chosen for molecular docking based on toxicity and druggability criteria. Tests for hemolytic potential using human erythrocytes revealed significant anti-hemolytic action. Using Fourier-Transform Infrared Spectroscopy (FTIR), functional groups such as carboxylic acids, alcohols, amides, and phenols were identified. Strong binding affinities of important drugs were shown by molecular docking experiments, which were corroborated by positive ADMET profiles. By identifying active chemicals and pertinent signaling pathways, the study demonstrates the multi-target effects of P. polygonoides on HCC through the use of network pharmacology, molecular docking, and molecular dynamics simulations. These results point to the potential benefits of P. polygonoides phytochemicals as potential treatments for liver cancer and call for more research.