Conformational Change of Mutant form of Amyloid Precursor Protein by Carbon Nanotube Functionalized with Morin.

Jafarinezhad, Sa'ideh; Ashkezari, Mahmood Dehghani; Jebali, Ali

The aim of this study was to find the effect of carbon nanotube functionalized with Morin molecule (CNTFM) on normal and mutant forms of amyloid precursor protein (APP), found in Alzheimer's disease. In this study, one mutant and one normal APP were separately modeled in Hyperchem software. After minimization of system energy, molecular dynamic (MD) simulation was separately carried out for 30000ps in NVT ensemble at 310K. At the end of simulation, different parameters, such as free energy, intermolecular energy and root mean square displacement (RMSD) were separately monitored for each APP. Finally, the ratio of change was calculated for each parameter. To confirm simulation results, one mL of mutant APP (10 mM) was incubated with one mL of CNTFM (10mg/mL) for 1h. Finally, the percentages of the different secondary structures of both treated and untreated APP were separately estimated by FTIR analysis. Based on MD simulation, high ratio of change was seen for mutant APP. Experimental study showed that the proportion of -sheets (parallel anti-parallel) and random coil was decreased when incubated with CNTFM. Moreover, the proportion of -turns was increased. Interestingly, the proportion of -sheets (anti-parallel) was not changed.

CARBON nanotubes; AMYLOID beta-protein precursor; CONFORMATIONAL analysis; MORIN; MOLECULAR dynamics

Nano Life, 2017, Vol 7, Issue 1, p-1

1793-9844

Academic Journal

10.1142/S1793984417500015