Alangium chinense (Lour.) Harms Leaves with Anti-inflammatory, Antioxidant Property: in vitro and in silico Study

Abstract

The present investigation aimed to find the in vitro antioxidant and anti-inflammatory potential of fractions of methanol extract of Alangium chinense (Lour.) Harms leaves followed by isolation and identification bioactive molecule and evaluate its possible mechanism through in silico study. A methanol extract of Alangium chinense (Lour.) Harms leaves subjected for chromatographic fractionation and pure isolates (F1-F8) were evaluated for their in vitro anti-inflammatory activity using albumin denaturation inhibition assay and in vitro antioxidant activity. Fraction F4 showed highest in vitro anti-inflammatory activity (IC₅₀ = 70.02 μg/mL), whereas fractions F3, F4, F7 showed better in vitro antioxidant activity compare to other fractions. F4 fraction was screened for its tentative structure using FTIR, ¹H and ¹³C NMR. The spectral analysis showed that the fraction F4 has a tentative structure of olean 19-ene-1yl-acetate. The molecular docking studies showed that test ligand significantly interact with different key active sites of amino acids and thus confirm possible COX-2 inhibitory activity of fraction F4. In vitro and in silico study confirmed the isolation of possible anti-inflammatory from Alangium chinense (Lour.) Harms leaves, which may further used as lead to a development of a new therapeutic agent.