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Aims: Today, due to the advent of drug resistance in cancer cells against conventional drugs, attention has been paid to the development of anti-cancer drugs with new mechanisms. Pardaxin is an amphipathic polypeptide neurotoxin.The aim of this study was to investigate the interaction of antimicrobial peptide pardaxin with DPPC (composed of 1, 2-dipalmitoyl-sn-glycero-3-phosphocholine) bilayers by molecular dynamics simulation.
Materials & Methods: In the present study, simulations for different membrane environments were designed under neutral pH conditions. At first, the Linux system was used to install the VMD 1.8.6 (Visual Molecular Dynamics) software; then, Gromacs 4.5.5 software was used to perform all the simulations. The pdb peptide structure (1XC0) was prepared from the Protein Data Bank and DPPC lipid bilayer was used for lipid-peptide simulation.
Findings: During the 500 nanoseconds of simulation, the peptide was infiltrated into the membrane. In the DPPC system, at first, the number of hydrogen bonds between the peptide and the lipid bilayer were increased and, then, remained almost constant until the end of the simulation and decreased over time with the number of hydrogen bonds between peptides and water. Pardaxin contacted with the membrane surface and entered into the membrane. In the presence of the peptide, the thickness of the membrane and the range of each lipid decreased and the membrane penetration increased.
Conclusion: The mechanism of Pardaxin is dependent on the bilayer composition, so that the pardaxin peptide contacts with DPPC lipid membrane surface and enters into it.

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In this article constitutive equations on dynamic behavior of off- axis polymer matrix composites in different strain rates were investigated. Using the Hill Anisotropy and assumptions governing in fiber composites, a model was developed to express the dynamic behavior of polymer matrix composites. Using the flow rules and effective stress and assumptions in fiber composites like non plastic behavior of composites in fiber direction, the Hill parameters were omitted and reduced to one namely a_66 parameter. This model was called2D one- Parameter Plastic Model (also it can be developed for 3D composite layers). This model was developed for off axis composites as well. For each composite with different fiber directions, effective stress- effective strain was introduced. With choosing the right value for parameter a_66 by try and error, all the stress- strain curves were collapsed in to one single curve. Using this model and the experimental static and quasi- static results gathered from different authors (in range of〖 0.01s〗^(-1)), a viscoplastic model was obtained which can predict the polymer composite respond both in static and high strain rate tests (between 400 s^(-1) and 700s^(-1)). Constant parameters in high strain rates in this model were calculated through extrapolating the data in the static test rang. The accuracy of this model was investigated and approved by Split Hopkinson Pressure Bar test. The results showed that the visco plastic model can predict the dynamic respond of composite fibers in high strain rates very well.