MD simulations and experiments of plasma proteins adsorption to the biodegradable magnesium alloys to facilitate cell response

TL;DR

This study combines molecular dynamics simulations and experimental analysis to understand how plasma proteins adsorb onto biodegradable magnesium alloys, promoting cell growth and reducing degradation for improved biomedical applications.

Contribution

It introduces a combined approach of MD simulations and experimental methods to analyze protein adsorption on magnesium alloys, revealing atomic-level interactions affecting biocompatibility.

Findings

Proteins like fibrinogen, vitronectin, fibronectin, and prothrombin preferentially adsorb on alloy surfaces.

Adsorbed proteins inhibit alloy degradation and enhance osteoblast growth.

Residue types on the alloy surface significantly influence protein adsorption behavior.

Abstract

Once the magnesium alloy was implanted in the body, it was immediately covered with plasma proteins. The coated alloy surface promoted the adsorption and growth of osteoblasts. Herein, in vitro biological reactions of the ZK60 and AZ31 magnesium alloys were analyzed with and without plasma proteins incubation. The plasma proteins adsorbed on the magnesium alloy were characterized using mass spectrometry (MS). The MS results show that proteins related to bone cells such as fibrinogen, vitronectin, fibronectin, and prothrombin are prone to adsorbed on the surface of the alloys than other proteins. These proteins restrain the degradation of Mg alloys and promote the adsorption and growth of bone cells, which demonstrated by the immersion tests and biocompatibility assays. Furthermore, molecular dynamics simulations were used to analyze the details of the adsorptions of fibrinogen, fibronectin, and prothrombin on ZK60 and AZ31at atomic level. It is revealed that the type of residues adsorbed on the surface of the material has an important effect on protein adsorption.