A combined in vitro and in silico approach to evaluate phytochemicals from the bioactive fraction of Acalypha indica L. against inflammatory and SARS-CoV-2 infection

Acalypha indica L., traditionally used to treat respiratory ailments, has demonstrated notable anti-inflammatory and antiviral properties. This study explored the n-hexane fraction of A. indica to identify bioactive compounds and evaluate their anti-inflammatory potential using in vitro and in silico approaches. Column chromatography led to the isolation of phytol and gallic acid from the A. indica, while stigmasterol and β-sitosterol were identified using GC-MS and LC-HRMS. Molecular docking revealed strong binding of gallic acid with TNF-α (-7.897 kcal/mol), NF-κB (-5.138 kcal/mol), and the RNA-dependent-RNA-polymerase protein (-6.841 kcal/mol). Whereas, in vitro anti-inflammatory evaluation using ELISA and NF-κB assays in LPS-stimulated macrophages demonstrated that gallic acid significantly (p n-hexane fraction of A. indica, particularly gallic acid and stigmasterol, shows promising role against inflammation-related diseases and viral infections.