Molecular Dynamics Simulation of Fibroblast Growth Factors Receptors Activation

Abstract

Growth factors are chemical substances involved in cellular signaling which produces cell migration, adhesion and influences the expressions of some components of extracellular matrix. Molecular modeling technique is the most apropiate choice to study the involvement of heparan sulfates in activation of growth factors receptors. The study analyses by molecular modeling, the way of implication of heparan sulfate (heparine, HSPG) in activation by oligomerization of the receptors for the human cardiogenesis, taking in consideration that FGF (fibroblast growth factor) is involved in early stages of human heart development. The molecular dynamics simulations were made for one complex 2:FGF2-2:FGFR1 in the presence of one molecule of HS (heparan sulfate) and also in the absence of this co-factor and by the comparison of the two obtained trajectories from oligomer stability point of view. The simulations were made by GROMACS program ver. 3.2.1. The molecular studies were realised using complementary techniques capable to describe analyzed systems from statistic and temporal point of view.