biostudies-literatureUnknown16Prajapati PMHepatocellular 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 <i>C. lancifolius</i> 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 <i>Conocarpus lancifolius</i>, of which 154 compounds were chosen for subsequent <i>in silico</i> analysis. Network construction and Gene Ontology (GO) enrichment analysis were performed using ShinyGo and the KEGG database, while Cytoscape 3.10.2 was employFrontiers in pharmacology1582374https://www.ebi.ac.uk/biostudies/studies/S-EPMC12209259biostudies-literatureDecoding the therapeutic mechanism of <i>Conocarpus lancifolius</i> in hepatocellular carcinoma: network pharmacology, molecular docking, and LC-MS QTOF insights.PMC12209259Patel SKHamid RLakhani KGPrajapati PMMaitreya BBRawal RMfalseDecoding the therapeutic mechanism of <i>Conocarpus lancifolius</i> in hepatocellular carcinoma: network pharmacology, molecular docking, and LC-MS QTOF insights.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 <i>C. lancifolius</i> 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 <i>Conocarpus lancifolius</i>, of which 154 compounds were chosen for subsequent <i>in silico</i> analysis. Network construction and Gene Ontology (GO) enrichment analysis were performed using ShinyGo and the KEGG database, while Cytoscape 3.10.2 was employ2025-01-01T00:00:00Z20252026-06-01T15:40:10.362Z2026-04-08T13:41:57.273ZS-EPMC122092594059980310.3389/fphar.2025.1582374