Decoding the therapeutic mechanism of <i>Conocarpus lancifolius</i> in hepatocellular carcinoma: network pharmacology, molecular docking, and LC-MS QTOF insights.

ABSTRACT: Hepatocellular carcinoma is a multifaceted and lethal malignancy, ranking third in cancer-related mortality and sixth in worldwide incidence. This study aimed to utilize LCMS-QTOF analysis to identify the phytoconstituents of C. lancifolius across three distinct seasons. The study also sought to elucidate the multi-layered mechanism of action against hepatocellular carcinoma using network pharmacology analysis, molecular docking, and molecular dynamics simulation. A total of 352 phytoconstituents were identified in the extract of Conocarpus lancifolius, of which 154 compounds were chosen for subsequent in silico analysis. Network construction and Gene Ontology (GO) enrichment analysis were performed using ShinyGo and the KEGG database, while Cytoscape 3.10.2 was employ

SUBMITTER: Prajapati PM 

PROVIDER: S-EPMC12209259 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature