In silico and In vitro Study Prediction of the Anti-inflammatory Activities of Identified Bioactive Compounds from Madhuca indica Flower Extract

Inflammation is the body’s protective response to harmful stimuli such as pathogens, damaged cells, or toxic compounds. However, chronic inflammation can lead to various diseases, including cancer, arthritis and cardiovascular disorders. Natural products have gained attention for their anti-inflammatory properties. This study aims to predict the anti-inflammatory activities of bioactive compounds found in Madhuca indica flower using both in silico and in vitro methods to explore their therapeutic potential in managing inflammatory conditions effectively. A flower extract of M. indica was prepared and analyzed to identify its bioactive components. Phytochemical screening revealed the presence of flavonoids, tannins and saponins. Fourier Transform Infrared Spectroscopy (FTIR) confirmed the functional groups corresponding to these compounds. The extract exhibited significant antioxidant activity in the 1,1-diphenyl-2-picrylhydrazyl (DPPH) assay, supporting its free radical scavenging potential and aligning its anti-inflammatory properties. Gas Chromatography-Mass Spectrometry (GC-MS) analysis identified specific bioactive compounds, which were further assessed through molecular docking studies using AutoDock. The in silico studies demonstrated strong binding affinities of these compounds toward key inflammatory markers, suggesting their therapeutic potential. In vitro studies confirmed the extract’s anti-inflammatory effects by showing significant inhibition of inflammatory mediators. These findings indicate that M. indica flowers possess promising anti-inflammatory properties, attributable to their bioactive compounds providing scientific evidence for their potential in developing natural anti-inflammatory therapeutics. The study highlights the medical significance of M. indica, encouraging further research into its clinical applications for managing inflammatory disorders.