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