DESIGN AND SYNTHESIS OF A BIOLOGICALLY ACTIVE ANTIBODY MIMIC BASED ON AN ANTIBODY-ANTIGEN CRYSTAL STRUCTURE

摘要: We have used the crystal structure of an N9 sialidase (antigen)-NC41 (antibody) complex to design a low molecular weight compound that mimics binding function macromolecular antibody. The components recognition between antibody and protein antigen been analyzed from energy-refined complex. From this analysis, four amino acid residues on surface, which make direct contact with active-site loop 368-370 antigen, identified as contributing majority energy protein. designed target compound, constrained cyclic peptide, receptor-bound conformation these acids, has synthesized found inhibit activity, K-i 1 x 10(-4) M.