Phytochemical, LC‐MS Studies, and Assessment of Antioxidant, Anti‐inflammatory, Hypoglycemic, Anti‐Rheumatoid‐arthritis Potential with Acmella paniculata : In‐Silico and In‐Vitro Appraisal

Abstract Acmella paniculata (AP), an ethnomedicinal plant, is valued for the management of pain, inflammation, arthritis, infection, diabetes and as tribal cuisine The study focused on validating AP against inflammatory pain, rheumatoid arthritis (RA), and hyperglycemia. Hydro‐ethanolic extract of AP flower (HEFeAP) was prepared via maceration, followed by ultrasonication. Physicochemical characterization was done using Thin Layer Chromatography (TLC), Liquid Chromatography‐Mass Spectrometry (LC‐MS), Ultra‐violet Spectroscopy (UV), and Fourier Transform Infrared Spectroscopy (FTIR). Major phytochemicals were assessed against inflammatory mediators using molecular docking and Molecular Dynamics (MD) simulations. The antioxidant potential of HEFeAP was assessed using the 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) assay (31.22 ± 0.53 µg mL −1 ) and hydrogen peroxide (H₂O₂) scavenging assay (40.36 ± 0.47 µg mL −1 ). The anti‐inflammatory activity, protective role against RA, and anti‐hyperglycaemic activities were evaluated via egg‐albumin denaturation, MTT (3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyl tetrazolium bromide) assay against human‐fibroblast cells and α‐amylase inhibition, showing IC 50 of 27.61, 65.75, and 85.43 µg mL −1 , respectively. Tumor Necrosis Factor‐alpha (TNF‐α), and nitric‐oxide (NO) levels were significantly downregulated in LPS‐stimulated PBMC‐derived macrophages (IC 50 = 152 and 164.56 µg mL −1 ). Phytochemical analysis revealed coumarins, flavonoids, polyphenols, steroids, and local‐anaesthetic alkylamides. Active phytomolecules in HEFeAP exhibited strong and stable binding with inflammatory biomarkers. These findings suggest HEFeAP can be used as a potential candidate for inflammatory pain, RA, and diabetes.