Mechanistic exploration of BPA-induced hepatotoxicity and the therapeutic potential of Kedrostis foetidissima: A network pharmacology and molecular docking study incorporating in silico and in vitro approach

Abstract

The liver, a vital organ in human physiology, performs critical functions like metabolism, detoxification, and bile synthesis. Modern lifestyles expose individuals to diverse environmental pollutants, including Bisphenol A, a ubiquitous chemical present in various plastics and even detected in aquatic environments and landfills. Kedrostis foetidissima, a traditional medicinal plant used by tribes in southern India, has limited pre-clinical data available regarding its therapeutic potential. This study aims to integrate in silico and in vitro methodologies to assess the mechanism of BPA-induced hepatotoxicity and the therapeutic potential of K. foetidissima through network pharmacology and molecular docking. We employed diverse in vitro assays, including antioxidant activity determination using polar solvents. GC–MS and LC-QTOF-MS were used to characterize the phytochemicals present in K. foetidissima. Network pharmacology and molecular docking platforms were then utilized to comprehensively understand the correlation between the extract's phytochemical composition and key genetic factors implicated in BPA toxicity. Our findings revealed that the methanolic extract exhibited the most potent antioxidant activity. GC–MS and LC-QTOF-MS analysis identified and characterized the constituents present in the methanolic extract. In silico investigations identified hub genes involved in BPA toxicity, and molecular docking shows the better phytochemical constituent for K. foetidissima therapeutic efficacy.