Computational Investigation of Herbal Bioactive Compounds Targeting TGF-Β Protein in Pulmonary Fibrosis

Pulmonary fibrosis is a long-term lung disease marked by progressive scarring of lung tissue, which gradually affects normal breathing and reduces lung function. Among the different molecular factors involved in this condition, transforming growth factor-beta (TGF-β) plays a major role in the development of fibrosis by promoting fibroblast activation and excessive collagen production. Despite the availability of antifibrotic drugs, complete recovery from the disease remains difficult, and prolonged treatment may lead to unwanted side effects. This has increased the interest in identifying safer and naturally derived therapeutic agents. The present study was carried out to investigate the potential of selected herbal compounds against the TGF-β target using molecular docking techniques. The herbal compounds selected for the study were Quercetin, Resveratrol, Curcumin, and Epigallocatechin gallate. These compounds were chosen because of their reported antioxidant, anti-inflammatory, and anti-fibrotic properties. The protein and ligand molecules were prepared using standard computational procedures before performing molecular docking with AutoDock Vina. The interaction between the selected compounds and the TGF-β target protein was evaluated based on binding affinity and molecular interactions. The docking results were further compared with the standard antifibrotic drug Pirfenidone.