Method for evaluating structure activity of osteogenic growth active peptide

Abstract

The invention discloses a method for evaluating structure activity of an osteogenic growth active peptide. The method comprises the following steps of 1, screening a latent osteogenic growth active peptide; 2, constructing a reserved docking polypeptide ligand database; 3, obtaining a target protein crystal structure, and removing an original ligand in the target protein crystal structure as a target acceptor protein; 4, respectively combining and docking each polypeptide target acceptor protein in the reserved docking polypeptide ligand database, selecting the polypeptide with binding site free energy which is lower than a first preset value, and forming a stable binding polypeptide cluster; and 5, calculating the number of repeated appearances of an amino acid sequence in the polypeptidecluster, screening the amino acid sequence in which the number of repeated appearances of the amino acid sequence is higher than a second preset value, and determining the polypeptide with the aminoacid sequence as the latent osteogenic growth active peptide. According to the method of the invention, bone cell proliferation improving activity of the polypeptide is evaluated based on computer-aided simulation molecular docking technology, thereby effectively saving identification time and cost and realizing high data reliability of the evaluation result.

Description

technical field [0001] The invention relates to the field of bioinformatics, in particular to a method for evaluating the structure and activity of osteogenic active polypeptides. Background technique [0002] Osteoporosis is a systemic bone metabolic disease characterized by decreased bone mass, degeneration of bone microstructure, and increased bone fragility. Clinically, drugs for the treatment of osteoporosis include risedronate, terephthalic acid, alendronic acid, bisphosphonate, zoledronic acid, teriparatide, etc., but these drugs often have symptoms such as esophageal inflammation , nausea, abdominal pain and even side effects of reproductive system cancer, its potential toxicity and side effects limit the wide-scale application to a certain extent. Therefore, finding safer, food-sourced natural alternatives that can promote bone formation and reverse bone structural damage is receiving increasing attention. [0003] Livestock and poultry bones are rich in collagen ...

AI Technical Summary

Problems solved by technology

[0006] Another object of the present invention is to provide a method for evaluating the structure and activity of osteogenic active peptides, which evaluates the osteoblast proliferation-promoting activity of polypeptides based on computer-aided simulated molecular docking technology, and overcomes the time-consuming, laborious and econo...

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