GPCR thermal stability mutation prediction method and device, and GPCR structure screening method and device
A technology of thermal stability and prediction method, which is applied in the analysis of two-dimensional or three-dimensional molecular structures, instruments, genomics, etc., can solve the problems of large investment in research and development costs, time-consuming and labor-intensive, and save time and effort in research and development costs , reduce omissions, and avoid excessive effects
Active Publication Date: 2022-02-11
北京晶泰科技有限公司
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However, these methods are time-consuming and labor-intensive and require a large amount of research and development costs.
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[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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The invention relates to a GPCR thermal stability mutation prediction method and device, and a GPCR structure screening method and device. The prediction method comprises the steps of according to a three-dimensional structure of a target GPCR, obtaining a change value delta delta G of a free energy value decline value of a site of the target GPCR before and after mutation, and according to the change value delta delta G of the free energy value decline value, determining a first mutation site meeting a first preset condition in mutated sites; according to the characteristics of the target GPCR and / or the amino acid sequence of the target GPCR, respectively obtaining the activity variation before and after heating of the sites of the target GPCR after alanine scanning mutation, and determining a second mutation site meeting a second preset condition in the mutated sites according to the activity variation before and after heating; and screening the first mutation sites with the first preset number ratio and the second mutation sites with the second preset number ratio as candidate mutation sites. According to the scheme, which site mutation of GPCR has the possibility of contributing stability can be predicted, time and labor can be saved, and the research and development cost can be reduced.
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...
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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