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

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.