Computer-aided design of short peptide ligands targeting N-formyl peptide MT-ND6: potential application in treating severe inflammatory diseases

. PS-based immunosorbents loaded with different peptides have no hemolytic effect, no significant effect on blood cell composition and blood coagulation activity, and no cytotoxicity, indicating good biocompatibility. In conclusion, the ligand RF screened by computer-aided molecular design exhibits a stronger affinity to MT-ND6 and it can significantly enhance the adsorption efficiency of MT-ND6 in serum. The PS-RF immunosorbent has great potential for the removal of MT-ND6 by hemoperfusion. The screening process of peptide ligands also provides a basis for the further design and optimization of affinity ligands for MT-ND6.