Spectroscopic Structural Elucidation and Molecular Docking Studies of Newly Isolated Rhamnose Containing Hexaoligosaccharide from Mango Honey: Implications for Wound Healing Activity

Abstract

A novel rhamnose-containing oligosaccharide, magnorhamnose (C₄₁H₇₂N₂O₃₀), was isolated from the chloroform extract of mango honey using silica gel column chromatography with chloroform and methanol as the mobile phase. The honey sample was extracted using a modified method involving acetylation followed by chloroform extraction, which facilitated the isolation of the oligosaccharide fraction. The isolated compound showed positive results in the phenol-sulphuric acid, Feigl and Morgan-Elson tests, confirming the presence of carbohydrate moieties along with N-acetyl-containing monosaccharide units. Based on these structural characteristics, PASS analysis was performed to predict its potential biological activities. The compound exhibited promising antimicrobial and antifungal activities with Pa values of 0.751 and 0.740, respectively, indicating its possible therapeutic relevance. To further support these predictions, molecular docking studies were carried out against five proteins associated with wound-healing activity, namely 1FLT, 1Q7D, 2AZ5, 6Y8M, and 6B8Y. Magnorhamnose demonstrated favorable binding affinities with docking energies of -8.0, -5.2, -7., -5.6 and -5.6 kcal/mol, respectively. The combined findings from phytochemical characterization, PASS prediction, and molecular docking analysis suggest that magnorhamnose possesses potential antimicrobial and wound-healing properties, warranting further experimental investigation.