Computational investigation of inhibitory mechanism of flavonoids as bovine serum albumin anti-glycation agents.

ABSTRACT:

Background

Glycation of serum albumin and its consequence products were considered as an important factor in drug distribution and diabetic complications, therefore finding the glycation inhibitors and their inhibitory mechanisms became a valuable field of study. In this work, bovine serum albumin (BSA) became a subject as a model protein for analyzing the inhibitory mechanism of flavonoids, known as natural BSA glycation inhibitors in the early stage of glycation.

Methods

Firstly, for theoretical study, the three-dimensional model of BSA structure was generated by homology modeling and refined through molecular dynamic simulation. Secondly, several validation methods (statistical assessment methods and also neural network methods) by simultaneous docking study were employed

SUBMITTER: Johari A 

PROVIDER: S-EPMC4272557 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature