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Process for three-dimensional structural information design new pattern pharmaceutical molecule based on antigen-antibody action

A technology of three-dimensional structure and information design, applied in the fields of biochemical equipment and methods, calculation, analysis of materials, etc., can solve problems that have not yet been developed

Inactive Publication Date: 2004-08-25
INST OF BASIC MEDICAL SCI ACAD OF MILITARY MEDICAL SCI OF PLA +1
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

However, based on the antigen-antibody interaction complex, the design of small molecule drugs targeting the antigen epitope-antibody hypervariable region CDR mode of action has not yet been carried out.

Method used

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  • Process for three-dimensional structural information design new pattern pharmaceutical molecule based on antigen-antibody action
  • Process for three-dimensional structural information design new pattern pharmaceutical molecule based on antigen-antibody action
  • Process for three-dimensional structural information design new pattern pharmaceutical molecule based on antigen-antibody action

Examples

Experimental program
Comparison scheme
Effect test

Embodiment Construction

[0077] Including the following 7 parts

[0078] 1. Acquisition of TNF-α functional antibody Z12 variable region gene

[0079] 2. Simulation of the spatial conformation of the antibody Z12 variable region gene sequence

[0080] 3. Obtaining the interaction complex between antibody Z12 variable region gene and TNF-α

[0081] 4. Determination of the TNF-α epitope recognized by the variable region gene of the antibody Z12

[0082] 5. Using molecular biology experiments to verify theoretical results

[0083] 6. Computer-aided design of new drug molecules

[0084] 7. Competitive binding experiments and other functional tests

[0085] 1. Acquisition of variable region gene of anti-TNF-α functional antibody Z12

[0086] 1.1 Materials

[0087] The PCR product cloning vector pGEM-T Easy was purchased from Promega, and the cloned strain JM109 was frozen and stored in our laboratory.

[0088] 1.2 Extraction of total RNA from hybridoma cells and synthesis of cDNA

[0089]Resuscitat...

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Abstract

The invention relates to a new-drug molecule designing method based on stereochemical structure information by the action of antigen and antibody. Concretely speaking, it designs theoretical conformation of changeable region of antigen and antibody on the computer, on this basis builds the theoretical conformation of antigen-antibody complex, identifies epitope in antigen combined with antibody and verifies the epitope by experiment, and designs a new-drug molecule according to the sequence of the epitope.

Description

technical field [0001] The invention relates to a method for designing novel drug molecules based on the three-dimensional structure information of antigen-antibody interaction. Specifically, the present invention establishes the theoretical conformation of the antigen-antibody complex by constructing the theoretical conformation of the antigen and the variable region of the antibody on a computer, and identifies the epitope in the antigen that binds to the antibody, and verifies this through experiments. Epitope, according to the sequence of the epitope to design new drug molecules. The antigen example used in the present invention is tumor necrosis factor (TNF-α), and the antibody example is the anti-TNF monoclonal antibody Z12 obtained by screening from hybridoma cells. Using the conformation and structural information of this pair of antigen-antibody interaction regions, With the help of computer-aided design method, a short peptide molecule substituted for antibody Z12 w...

Claims

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Application Information

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IPC IPC(8): C12Q1/68G01N33/00G01N33/53G01N33/566G06F17/50
Inventor 沈倍奋冯建男黎燕张巍
Owner INST OF BASIC MEDICAL SCI ACAD OF MILITARY MEDICAL SCI OF PLA
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