Characterization, Antioxidant Potential, and In Silico Study of Ruellia Tuberosa Hydroethanol Extract of Leaf

This study was conducted to evaluate the phytochemical profile, alpha-amylase inhibitory potential, and in vitro antioxidant activity of the hydro-ethanolic [70:30] extract from Ruellia tuberosa leaves, along with molecular docking with catalase (7VD9), PPARγ (2P4Y), and AChE (4PQE) enzymes. Fresh leaves were collected, purified, and air-dried prior to extraction with hydroethanol to obtain crude extracts that were rich in secondary metabolites. Qualitative phytochemical screening has revealed the presence of flavonoids, phenolic acids, tannins, and other beneficial compounds. LC-MS analysis provided a comprehensive profile of these compounds, identifying numerous peaks corresponding to established anti-diabetic medications and antioxidants. The antioxidant capacity of the extract was evaluated by DPPH, ABTS, nitric oxide radical scavenging, and hydroxyl free radical assays with IC50 values at the concentration of 70, 305, 350, and 155 μg/ml, respectively, demonstrating a substantial dose-dependent capacity for free radical scavenging. The hydroethanol extract demonstrated significant alpha amylase inhibitory activity (IC50 44±0.18 μg/mL), indicating its potential to regulate glucose metabolism and aid in the management of postprandial hyperglycemia. The interactions among the identified phytochemicals may explain the observed anti-diabetic and antioxidant effects. These findings validate the traditional application of R. tuberosa in addressing metabolic diseases and oxidative stress, while highlighting the potential of the plant as a source of natural therapeutic agents. The molecular docking study of the RTL extract revealed the strong interactions of its key phytochemicals, catechin, amyrin, and kaempferol, with the target proteins catalase, PPARγ, and AChE. These compounds exhibited significant binding affinities, suggesting potential therapeutic activities. These in silico findings support the bioactivity observed in in in-vitro assays and provide a basis for further pharmacological research. Additional studies, including isolation of specific compounds and in vivo testing, are necessary to elucidate the mechanisms of action and inform the development of novel pharmacological and nutraceutical applications. © 2025 by SPC (Sami Publishing Company), Asian Journal of Green Chemistry, Reproduction is permitted for noncommercial purposes.