The invention relates to the technical field of
biology, in particular to a p53
protein targeting inhibitor and a design method thereof. The
molecular mechanism and microscopic details of interaction of azurin-p53
protein complexes are analyzed through an MD
simulation technology and an MM-PBSA free energy
decomposition method, key binding sites between the complexes and
spatial distribution of the key binding sites are determined, and an affinity model is established, so that a candidate affinity ligand
peptide library is constructed. Then, screening and verifying the affinity ligand
library through methods of molecular docking, conformation analysis,
binding site comparison, hydrophobicity analysis, MD
simulation and the like to obtain a high-affinity ligand aiming at a p53
protein target spot, and verifying the binding performance of the affinity
peptide ligand and the p53 protein through a double-
antibody sandwich ELISA (
Enzyme-Linked Immunosorbent
Assay) experiment. And screening to obtain the p53 protein
inhibitory peptide with high affinity with the p53 protein.