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GPCR thermostability mutation prediction method, structure screening method and device thereof

A technology of thermal stability and prediction method, used in the analysis of two-dimensional or three-dimensional molecular structure, genomics, instruments, etc., can solve the problems of time-consuming, labor-intensive, and large R&D costs, so as to reduce omissions and save time. Effortless research and development costs, avoid excessive effects

Active Publication Date: 2022-03-18
北京晶泰科技有限公司
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Problems solved by technology

However, these methods are time-consuming and labor-intensive and require a large amount of research and development costs.

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  • GPCR thermostability mutation prediction method, structure screening method and device thereof
  • GPCR thermostability mutation prediction method, structure screening method and device thereof
  • GPCR thermostability mutation prediction method, structure screening method and device thereof

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Embodiment Construction

[0059] Embodiments of the present application will be described in more detail below with reference to the accompanying drawings. Although embodiments of the present application are shown in the drawings, it should be understood that the present application may be embodied in various forms and should not be limited by the embodiments set forth herein. Rather, these embodiments are provided so that this application will be thorough and complete, and will fully convey the scope of this application to those skilled in the art.

[0060] The terminology used in this application is for the purpose of describing particular embodiments only, and is not intended to limit the application. As used in this application and the appended claims, the singular forms "a", "the", and "the" are intended to include the plural forms as well, unless the context clearly dictates otherwise. It should also be understood that the term "and / or" as used herein refers to and includes any and all possible ...

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Abstract

The present application relates to a GPCR thermostability mutation prediction method, structure screening method and device thereof. The prediction method includes: according to the three-dimensional structure of the target GPCR, obtaining the change value ΔΔG of the drop value of the free energy value of the site of the target GPCR before and after the mutation, and according to the change value ΔΔG of the drop value of the free energy value, at the site after mutation Determine the first mutation site that meets the first preset condition; according to the characteristics of the target GPCR and / or the amino acid sequence of the target GPCR, respectively obtain the changes in the activity of the target GPCR site after alanine scanning mutation before and after heating, And according to the amount of activity change before and after heating, a second mutation site that meets the second preset condition is determined among the sites after mutation; the first mutation site that accounts for the first preset number and the second preset number account for The second mutation site of the ratio is used as a candidate mutation site. The scheme of the present application can predict which site mutations of GPCRs have the possibility of contributing to stability, which can save time and effort and reduce research and development costs.

Description

technical field [0001] The present application relates to the technical field of G protein-coupled receptor mutations, in particular to a method for predicting thermal stability mutations of GPCR, a method for structural screening and a device thereof. Background technique [0002] The G protein-coupled receptor (GPCRs) family is one of the most important receptor families encoded by the human genome. It is commonly expressed in the main organ tissue systems of the human body. There are seven transmembrane α-helices in its three-dimensional structure, and its There are binding sites on the C-terminus of the peptide chain and the intracellular loop connecting the fifth and sixth transmembrane helices, and their main function is to transmit extracellular information into the cell by interacting with G protein. GPCRs are involved in a large number of human diseases, physiological and pharmacological activities, and are the most studied drug targets. The study of the structural...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G16B15/20G16B20/50G16B30/00
CPCG16B15/20G16B20/50G16B30/00
Inventor 王天元黄健吴炜坤翟珂
Owner 北京晶泰科技有限公司