A Rapid Screening Method for Metabolite Peptide Aptamers Based on Molecular Docking Technology

Abstract

The invention discloses a method for rapid screening of metabolite peptide aptamers based on molecular docking simulation calculation technology. The method includes (1) determination of target metabolites; (2) obtaining a potential polypeptide library that has a binding force with the target metabolites ; (3) Steps such as molecular docking prediction of potential peptide library and target metabolites. The method is fast, has a wide range of targets, does not require a large amount of manpower and material resources, and has no harm to the experimenter's body, which solves the limiting factors for the widespread application of peptide aptamers at present. The present invention can simplify the procedures of peptide aptamer screening, increase the storage capacity to the greatest extent, and then facilitate the screening of metabolite peptide aptamers with appropriate specificity and affinity, which can be used in the design of detection kits, sensors, etc., and can be used in nutrition detection in the fields of science, biology and clinical diagnosis.

Description

Technical field [0001] The present invention relates to cross-sciences such as computer science, structural biology, and nutrition, and specific to a metabolite peptide substantially rapid screening method based on molecular docking techniques. Background technique [0002] Protein is the direct executor of life activities, in the process of transshipment, transformation, catalysis, the first step in the function of protein is to identify the identification of metabolites in vivo. Therefore, theoretical in theoretically associated sensational protein associated with a metabolism should have a specific identification site associated therewith, since the advanced structure of the protein is determined by the primary structure, the recognition site information should be contained in the primary structure of the protein. Has have been studied with polypeptides with specific binding ability specific to the target. Peptide adapter is a short peptide having specific identification of sp...

AI Technical Summary

Problems solved by technology

Due to the cumbersome synthesis and identification of peptides and the low content of peptides that bind to the target in the random peptide library, the human and material resources consumed in the screening process make the research progress of peptide aptamers slow, and the toxic reagents used in the screening process are also harmful to the human body.