Tehran University of Medical Sciences Traditional and Integrative Medicine 2476-5104 11 3 2026 10 01 2105 2105 Abdolmajid Ghasemian Noncommunicable Diseases Research ‏Center, Fasa University of Medical Sciences, Fasa, Iran Abdolbaset Mazarzaei Department of Immunology, Iranshahr University of Medical Sciences, Iranshahr, Iran Hussein Abdulabbas Department of Medical Microbiology, Medical College, Al Muthanna University, Samawah, Al-Muthanna, Iraq Mahsa Rostami Chijan Department of Medical Microbiology, Medical College, Al Muthanna University, Samawah, Al-Muthanna, Iraq Mojtaba Memariani Department of Persian Medicine, Fasa University of Medical Sciences, Fasa, Iran Farnaz Karami Noncommunicable Diseases Research ‏Center, Fasa University of Medical Sciences, Fasa, Iran Ensieh Nournia Noncommunicable Diseases Research ‏Center, Fasa University of Medical Sciences, Fasa, Iran Elham Zarenezhad Noncommunicable Diseases Research ‏Center, Fasa University of Medical Sciences, Fasa, Iran 2025 05 02 2025 10 06 Hepatocellular Carcinoma (HCC) is a leading cause of death from cancer worldwide. Herbal medicines have numerous benefits such as affordability, low side effects and low cytotoxicity. Bioinformatics tools or so called computer-aided drug design (CADD) have deciphered extraordinary capability in rapid and cost-effective exploration or prediction of potential alternatives such as HMs bioactive compounds. Bioactive compounds such as stigmasta-5,22-dien-3-one (targeting PIK3R1, SRC), lupeol, isomeldenin,  nimocinol, gedunin and nimbidinin (targeting Akt), luteolin (targeting EGFR) have inferred potential anti-HCC effects according to computational bioinformatics studies. Considering high anti-HCC potential of these bioactive compounds, their formulation or combinatory application is promising for efficient cancer therapy. https://jtim.tums.ac.ir/index.php/jtim/article/view/2105