In this article, cyclic peptide (CP) with lipid substitutions were theoretically designed. Dynamical behavior of the cyclic peptide nanotube (CPNT) without lipid substitutions in the solution, water and chloroform, during the 50 ns molecular dynamic (MD) simulations has been investigated. The effect of the lipid substitutions on the CPNT has been studied, too. The substitution increased the stability of the CPNT, significantly, in polar solvents. The behavior of the CPNTs reveals that these structures are good choices for molecule transmission across the lipid membrane and this structure is enough stable to be used as a molecular channel.

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