Fig. 2
From: Development of molecularly imprinted polymers for the detection of human chorionic gonadotropin
(A) Structure of the full hCG hormone in which the epitopes SV and PQ are highlighted. SV corresponds to the β-chain loop residues 66–80 (SIRLPGCPRGVNPVV). PQ is the C-terminal peptide of the β-chain, corresponding to residues 135–145 (PGPSDTPILPQ). (B) Structures of the SV and PQ peptides conjugated to the N-acetylated-6-aminohexanoyl (Ahx) moiety at the N-termini. (C) MD simulation box used to evaluate the conformational properties of the peptide templates (Ahx-SV or Ahx-PQ) within a pre-polymerization mixture environment. The simulated systems were built by placing the templates Ahx-SV or Ahx-PQ at the center of the box surrounded by 200 monomers in proportions consistent with the experimental setup and explicit solvent molecules.
