Exploring the potential of herbal drugs for treating liver fibrosis: a computational screening approach

Abstract Background With the increasing prevalence of metabolic disorders such as obesity and hyperlipidemia, there is a heightened tendency for inflammation in the hepatocytes, which can eventually progress to liver fibrosis. Despite its high incidence, no approved treatment currently exists for liver fibrosis. Objectives This study aims to identify potential herbal drugs with anti-fibrotic activity by targeting multiple pathways involved in liver fibrosis, particularly focusing on the Tumour growth factor-beta (TGF-β) and tumor necrosis factor-alpha (TNF-α) proteins. Methods We conducted in silico studies on 9 widely used herbal drugs to evaluate their binding affinities for TGF-β and TNF-α receptors. The herbal drugs analyzed included ginseng, danshen, silymarin, resveratrol, berberine, anthocyanin, ginger, curcumin, and tocopherol. Results Our results indicate that ginseng and danshen exhibit the strongest anti-fibrotic potential, with the most favorable binding energies for both TGF-β and TNF-α receptors. Silymarin, resveratrol, berberine, and anthocyanin also demonstrated comparable or superior activity to the reference drug and pirfenidone. Conversely, ginger, curcumin, and tocopherol showed relatively lower activity. Conclusions Herbal drugs such as ginseng and danshen present promising candidates for the treatment of liver fibrosis due to their strong binding affinity to key fibrosis-related proteins and their lower side effect profile compared with synthetic drugs. The appropriate selection and combination of these herbal drugs could offer a viable therapeutic approach for managing liver fibrosis.