Abstract:

Using the computer simulation technology of docking and the phage peptide library for optimum screening of the isocitrate lyase peptide inhibitor. First the binding peptides were screened by phage peptide library, which has a high affinity for isocitrate lyase(ICL). And then via the Discovery Studio 21, the docking of peptides to ICL protein crystal (1F8I) was simulated.  Finally, the solidphase synthesis of Fmoc was used to synthesize peptide, and their biological activities were detected. We got 29 heptadpeptide sequences by phage peptide library screening, 12 of which can successfully dock to ICL protein crystal. The biological activity detecting shows that they all have conspicuous inhibition on the ICL activity (rate of inhibition 50%).

Key words: isocitrate lyase, peptide inhibitor, phage peptide library, virtual screening, docking