Glycation of human low-density
protein (
LDL) has an essential contribution to
cardiovascular diseases. Natural compounds like
rutin have been extensively studied in preventing glycation-induced oxidative stress. This study examined
rutin's anti-glycation potential with
glycated LDL utilizing spectroscopic and in silico methods.
Glycated LDL treated with
rutin, showed around 80 % inhibition in
advanced glycation end-product production. Carbonyl content and lipid peroxidation like assays were used to establish the development of oxidative stress.
Rutin was seen to lower the generation of oxidative stress in a dose-dependent manner. Using
thioflavin-T assay and electron microscopy,
rutin was suggested to restore the structural disturbances in
glycated LDL. Moreover, CD spectroscopy suggested reinstation of secondary structure of
glycated LDL treated with
rutin. Mechanistic insights between
rutin and
LDL were observed through spectroscopic measures. Molecular docking study confirmed the
LDL-
rutin binding with a binding energy of -10.0 kcal/mol. The
rutin-
LDL complex was revealed to be highly stable by molecular dynamics simulation, with RMSD, RMSF, Rg, SASA, and the secondary structure of
LDL remaining essentially unchanged during the simulation period. Our study suggests that
rutin possesses strong anti-glycating properties, which can be useful in
therapeutics, as
glycated LDL has an important role in atherosclerotic
cardiovascular diseases.