Human Prion Protein Conformational Changes Susceptibility: A Molecular Dynamics Simulation Study

A Study on The Effect of Temperature on Human Prion Protein Structure through Molecular Dynamic Simulation

Background & Aims: The normal form of the prion protein is called PrPC and its infectious form is called PrPSc. This protein functions like a crystallized core for the transformation of PrPc into an abnormal PrPSc. The aim of the present study was to investigate the effect of temperature on human prion protein structure through molecular dynamic simulation. Methods: In this research, the GROMAC...

Conformational instability of human prion protein upon residue modification: a molecular dynamics simulation study

Technical strategies like amino acid substitution and residue modification have been widely used to characterize the importance of key amino acids and the role that each residue plays in the structural and functional properties of protein molecules. However, there is no systematic approach to assess the impact of the substituted/modified amino acids on the conformational dynamics of proteins. I...

Molecular dynamics simulation of human prion protein

The 1997 Nobel Prize was awarded to Stanley B. Prusiner for his discovery of prions and there are now wet lab experimental results available which show the evidence of such kind of molecules. Present studies reveal the role of acidic pH in the conversion of human prion protein to the pathogenic isoform is investigated by means of molecular dynamics simulations, focusing the attention to the eff...

Introducing critical residues in the human prion protein and its Asp 178 Asn mutant by molecular dynamics simulation

The molecular dynamics (MD) simulation method is used to assess structural details for humanprion protein (hereafter PrPN) and its Asp178 Asn mutant (hereafter PrPm) which causes fatalfamilial insomnia disease. The results reveal that the flexibility and instability increase in PrPmcould be related to specific amino acids exposed to the solvent. Solvation free energy of PrPm is 20kjmot1nni2 mor...

The Molecular Dynamics Simulation of Prion Protein