Understanding of Protein Adhesion to PLGA Through Molecular Docking Analysis

In tissue engineering, cellular adhesion is a multistep process which occurs between the cell and the specific molecules and proteins that are adsorbed from biological fluids to the material surface. Therefore, it is essential to understand the protein adsorption level and which protein can bind efficiently to the surface of the fabricated material. Although many studies in literature showing quantification of protein adsorption levels by chemical methods and some instrumental techniques, there is a notable gap in the literature regarding the application of molecular docking analysis to identify which proteins can bind effectively to material surfaces, together with the specific interactions and orientations involved. Towards this goal, the present study aimed to evaluate the interactions between FDA approved biomaterial poly(lactic-co-glycolic acid) (PLGA) surface and specific proteins which are commonly found in cell culture medium for in vitro studies, and integrins which are associated with cellular adhesion. The results showed that PLGA exhibited strong binding affinity to both BSA and integrin β2, while less stable bindings were performed by hemoglobin and 2-macroglobulin proteins. These results indicate that how molecular recognition via docking process is important for fabricating biomaterials in tissue engineering applications.