MOLECULAR DOCKING INSIGHTS AND ANTIOXIDANT ACTIVITY OF ISOLATED BIOACTIVE COMPOUND FROM STEVIA REBAUDIANA LEAVES

Sunaina; Phool  Chandra

doi:10.56782/pps.520

Published : 2025-11-22

No. 2025 (Early Access)

MOLECULAR DOCKING INSIGHTS AND ANTIOXIDANT ACTIVITY OF ISOLATED BIOACTIVE COMPOUND FROM STEVIA REBAUDIANA LEAVES

Sunaina

Phool Chandra

DOI: https://doi.org/10.56782/pps.520

Abstract

This study investigates the molecular docking interactions and antioxidant activity of an isolated bioactive compound from Stevia rebaudiana leaves, highlighting its potential as an antioxidant and anti-inflammatory agent. Stevia rebaudiana has been extensively studied for its medicinal properties, particularly in managing oxidative stress-related conditions. A bioactive compound (Rebaudioside A) was isolated using ethanol extraction, followed by phytochemical screening, TLC, column chromatography, and FTIR, NMR, and mass spectroscopy for identification. Molecular docking with nuclear factor kappa B (NF-κB) was performed using Schrödinger Suite, and antioxidant activity was assessed through 2,2-Diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) assays. The isolated compound, Rebaudioside A, exhibited strong binding affinity with NF-κB (XP Gscore: -12.677), indicating significant anti-inflammatory potential. The compound showed moderate antioxidant activity, with DPPH radical scavenging activity (RSA) of 16.60% and ABTS RSA of 9.635%, while Trolox Equivalent Antioxidant Capacity (TEAC) values of 17.54 μmol/mg (DPPH) and 28.393 μmol/mg (ABTS). Therefore, we concluded that, Rebaudioside A demonstrates notable antioxidant and anti-inflammatory potential, suggesting its suitability for further pharmacological exploration in managing oxidative stress-related disorders.

Keywords:

Stevia rebaudiana, Molecular docking, Antioxidant activity, Rebaudioside A, NF-κB, DPPH, ABTS, Bioactive compound

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Sunaina, & Chandra, P. (2025). MOLECULAR DOCKING INSIGHTS AND ANTIOXIDANT ACTIVITY OF ISOLATED BIOACTIVE COMPOUND FROM STEVIA REBAUDIANA LEAVES. Prospects in Pharmaceutical Sciences, (2025 (Early Access). https://doi.org/10.56782/pps.520

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Sunaina

sunainarathore8171@gmail.com

Affiliation:

a:1:{s:5:"en_US";s:113:"Teerthankar Mahaveer College of Pharmacy, Teerthankar Mahaveer University, Moradabad-244001, Uttar Pradesh, India";} India