Metabolite-peptide-aptamer rapid screening method based on molecular docking technology

Abstract

The invention discloses a metabolite-peptide-aptamer rapid screening method based on the molecular docking simulating computation technology. The metabolite-peptide-aptamer rapid screening method includes the steps that (1) a target metabolite is determined; (2) a potential polypeptide library is obtained, wherein binding force exists between the potential polypeptide library and the target metabolite; (3) the potential polypeptide library and the target metabolite are subjected to molecular docking forecasting. The metabolite-peptide-aptamer rapid screening method is high in speed and wide intarget range, a large quantity of manpower and material resources are not required, harm to experimenter bodies is avoided, and limiting factors of wide application of current peptide aptamer are avoided. According to the metabolite-peptide-aptamer rapid screening method based on the molecular docking simulating computation technology, the peptide-aptamer screening procedure can be simplified, the library capacity is increased to a greatest degree, the metabolite peptide aptamer with the suitable specificity and affinity is thus conveniently screened out, and the metabolite-peptide-aptamer rapid screening method is used for designing such as kit and sensor detection, and is applied to detection of the field such as nutriology, biology and clinical diagnosis.

Description

technical field [0001] The invention relates to interdisciplinary sciences such as computer science, structural biology and nutrition, and in particular to a rapid screening method for metabolite peptide aptamers based on molecular docking technology. Background technique [0002] Proteins are the direct executors of life activities. In the physiological and biochemical processes such as transport, transformation, and catalysis, the first step for proteins to perform their functions is to identify metabolites in the body. Therefore, in theory, the sensory protein related to a certain metabolite in animals should have a specific recognition site related to it. Since the high-level structure of the protein is determined by the primary structure, the information of the recognition site should be contained in the primary structure of the protein. Peptides with the ability to specifically bind to targets have been studied. Peptide aptamers are short peptides with the ability to ...

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.