Phytochemical, LC-MS Studies, and Assessment of Antioxidant , Anti-inflammatory,hypoglycemic, anti-Rheumatoid-arthritis potential with Acmella paniculata : in-silico and in-vitro appraisal

Iqbal, AMA, Sarkar, A, Saha, A, Bhardwaj, P, Panchadhavee, R, Syveena, S, Somabattini, R, Das, N, Nanjappan, SK, Unger, BS, Hazra, A, Ghosh, P, Babykutty, S, Nahar, L, Sarker, SD, Palit, P and Chattopadhyay, D (2025) Phytochemical, LC-MS Studies, and Assessment of Antioxidant , Anti-inflammatory,hypoglycemic, anti-Rheumatoid-arthritis potential with Acmella paniculata : in-silico and in-vitro appraisal. ChemistrySelect, 10 (17). ISSN 2365-6549

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Abstract

Acmella paniculata (AP), an ethnomedicinal plant, is traditionally used for toothache, pain, inflammation, and arthritis, as edible tribal vegetables and as an antimicrobial agent. This study aimed to evaluate the protective role of AP against inflammatory pain, rheumatoid arthritis (RA), and hyperglycemia. Hydro-ethanolic flower extract of AP (HEFeAP) was prepared via maceration, followed by ultrasonication. Physicochemical characterization was performed 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. HEFeAP’s antioxidant activity was assessed using 2,2-diphenyl-1-picrylhydrazyl (DPPH) (31.22±0.53 µg/ml) and hydrogen peroxide (H2O2) scavenging (40.36±0.47 µg/ml). The anti-inflammatory activity, protective role against RA, and anti-hyperglycaemic activities were evaluated via egg-albumin denaturation, MTT assay against human-fibroblast cells and α-amylase inhibition, showing IC50 values of 27.61, 65.75, and 85.43 µg/ml, respectively. Tumor Necrosis Factor-alpha (TNF-α), and nitric-oxide (NO) levels were significantly downregulated in LPS-stimulated PBMC-derived macrophages (IC50 = 152 and 164.56 µg/ml). Phytochemical analysis revealed coumarins, flavonoids, polyphenols, steroids, and local-anesthetic 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 treating inflammatory pain, Rheumatoid Arthritis (RA), and diabetes.

Item Type:	Article
Additional Information:	This is the peer reviewed version of the following article: A. M. A. Ikbal, A. Sarkar, A. Saha, P. Bhardwaj, R. Panchadhayee, S. S, R. A. Somabattini, N. Das, S. K. Nanjappan, B. S. Unger, A. Hazra, P. Ghosh, S. Babykutty, L. Nahar, S. D. Sarker, P. Palit, D. Chattopadhyay, Phytochemical, LC-MS Studies, and Assessment of Antioxidant, Anti-inflammatory, Hypoglycemic, Anti-Rheumatoid-arthritis Potential with Acmella paniculata: In-Silico and In-Vitro Appraisal. ChemistrySelect 2025, 10, e202405189. https://doi.org/10.1002/slct.202405189, which has been published in final form at https://doi.org/10.1002/slct.202405189. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions. This article may not be enhanced, enriched or otherwise transformed into a derivative work, without express permission from Wiley or by statutory rights under applicable legislation. Copyright notices must not be removed, obscured or modified. The article must be linked to Wiley’s version of record on Wiley Online Library and any embedding, framing or otherwise making available the article or pages thereof by third parties from platforms, services and websites other than Wiley Online Library must be prohibited.
Uncontrolled Keywords:	03 Chemical Sciences; 34 Chemical sciences
Subjects:	R Medicine > RM Therapeutics. Pharmacology R Medicine > RS Pharmacy and materia medica
Divisions:	Pharmacy and Biomolecular Sciences
Publisher:	Wiley
Date of acceptance:	9 April 2025
Date Deposited:	10 Apr 2025 15:19
Last Modified:	08 May 2025 16:30
DOI or ID number:	10.1002/slct.202405189
URI:	https://researchonline.ljmu.ac.uk/id/eprint/26165

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