In silico study: The antiglycation potency of aloin on the protein surface of human serum albumin

Abstract

Advanced glycation end products (AGEs) is an end product of glycemic protein/fat/nucleic acid reactions with excessive glucose. One protein that is susceptible to glycemic reactions is the human serum albumin (HSA). Aloin is a proven natural substance in vitro can be used as an antiglycation, but not yet known as antiglycation target for HSA protein. Therefore, this study objective is to produce in silico prediction for antiglycation potency of aloin based on the pattern and binding affinity of aloin-protein HSA interactions. This study was performed by molecular docking methods using autodock vina program which integrated in PyRx 0.8 software. The ligands used are aloin, and glucose. The results of this study indicate that sub-domains 1B and 2A of HSA protein are the main target of antiglycation of aloin, with aloin's antiglycation ability increased in further glycation.