Identification of Anticancer Potential of Phytoconstituents of Cuminum cyminum Effective against Hepatocellular Carcinoma Using Computational Approaches

Objective: To explore anticancer agents from Cuminum cyminum against hepatocellular carcinoma.Study Design: In-silico approaches using computational tools to determine the potential of phytoconstituents cumin carcinoma.Place and Duration Study: This study was conducted May 2021 January 2022 at Department Bioinformatics Biosciences Capital University Science Technology, Islamabad, Pakistan.Materials Methods: In this study, bioactive compounds representatives Flavonoids, Phenolic acids, Terpenes, Glycosides were selected these ligands an in-silico approach. Virtual screening carried out drug target, which Vascular Endothelial Growth Factor Receptor-2 (VEGFR-2). identify novel as inhibitors VEGFR-2, Lipinski rule five, Pharmacokinetic properties, molecular docking performed. Lipinski's five properties studied through pkCSM tool. Auto-dock performed docking.Results: From compounds, four showed themselves hit compounds. Among them, Quercetin lead compound in research VEGFR-2 because it a -10.14 kcal/mol binding score more active results with less toxic effects than standard drug, Lenvatinib. All ligands-protein interaction visualization analyses by PyMol tool Discovery tool.Conclusion: identified that should be explored candidate wet lab analysis validate its efficacy for treatment HCC.