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NMR nuclear magnetic resonance method for high flux medicine screening

A technology for screening drugs and nuclear magnetic resonance, which is applied in the fields of nuclear magnetic resonance analysis, climate sustainability, water resources assessment, etc., can solve complex and difficult operations, achieve simple experimental operation, high fault tolerance rate, and improve fault tolerance rate and operability effects

Active Publication Date: 2012-06-20
INNOVATION ACAD FOR PRECISION MEASUREMENT SCI & TECH CAS
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

Therefore, such selective experiments are often complicated to operate and highly skilled, and have relatively great difficulties when provided to enterprise users.

Method used

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  • NMR nuclear magnetic resonance method for high flux medicine screening
  • NMR nuclear magnetic resonance method for high flux medicine screening
  • NMR nuclear magnetic resonance method for high flux medicine screening

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0041] It is known that human serum albumin (HSA) is an important drug carrier, which exists in large quantities in serum and can transport drugs to target organs and then release them. Therefore, in this example, albumin will be used as the target biomolecule for ligand drug screening.

[0042] A nuclear magnetic resonance method for high-throughput screening of drugs, the steps of which are:

[0043] 1. Configure the sample to be tested: the sample is a mixed aqueous solution of 0.1mM albumin (HSA), 2mM tryptophan and 2mM glucose, and a small amount of D 2 0 for field lock, D 2 The volume ratio of O is 5%-10% (D 2 O / H 2 O). The basic characteristics of this sample are: albumin can bind tryptophan, but not glucose.

[0044] 2. Detection: transfer the sample into a NMR sample tube with a diameter of 5mm, put the sample tube into a Bruker Avance 600 NMR spectrometer, control the experimental temperature at 298K, and wait for 10-15 minutes to allow the temperature in the sa...

Embodiment 2

[0046] Example 2: Taking human serum albumin as an example to analyze the error tolerance rate.

[0047] 1. The operation of configuring the sample to be tested is the same as in Example 1.

[0048] 2. The operation of the NMR experiment used in the detection is the same as in Example 1. In order to analyze the error tolerance rate of the experiment, after accurately measuring the 90-degree pulse required for the experiment, two groups of screening experiments were carried out respectively, and one group of them used the accurately measured pulse. Pulse was used as a parameter, and another group increased the pulse width by 14% and was measured.

[0049] 3. Result analysis: the experimental measurement results are shown in the attachment image 3 As shown, in a specific experiment, when the inaccuracy of all pulses reaches about 14%, the information contained in the spectrum collected by the experiment does not change in any way. Still the bound potential drug molecule trypt...

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Abstract

The invention discloses an NMR nuclear magnetic resonance method for high flux medicine screening. The method includes the following steps: a, preparing mixed water solution containing target biomacromolecules and to-be-screened medicine, and adding the target biomacromolecules and to-be-screened molecules in the water solution and uniformly mixing the biomacromolecules and the to-be-screened molecules as well as the water solution; b, filling the mixed solution in an NMR sample tube, placing the sample tube in a spectrometer, and selectively detecting signals of ligand molecules combined with the target protein, wherein the selective detection includes the steps that firstly, building the selective disturbance for water serving as the resolvent based on the radiation damping effect, secondly, performing the operation based on the effects such as exchange and polarization transfer, and thirdly, exciting the built signals, and selectively detecting the protein and the ligand molecules of the protein, wherein the operation includes two pulse modular units, namely, a signal building module and a detection module; and c, completing the molecule confirmation. The method is simple and convenient to operate and feasible, has high accuracy and sensitivity in experiment detection, and effectively improves the accuracy and efficiency in medicine screening.

Description

technical field [0001] The invention belongs to the technical field of high-throughput drug screening, and more specifically relates to an NMR method for high-throughput drug screening, which is suitable for high-sensitivity and high-throughput screening of potential drugs interacting with target biomacromolecules. Background technique [0002] 1. The relationship between intermolecular interactions and drug screening: [0003] At present, it is the trend of new drug development to find new drugs by means of target proteins and other biomacromolecules. Since many drug molecules play a role by combining with macromolecules in organisms such as proteins, RNA, etc., it is necessary to use macromolecules with important biological functions as targets to find specific binding agents with a certain affinity for target molecules. Drugs have become an important means of drug screening. [0004] Drug screening targeting macromolecules is a high-throughput drug screening technology,...

Claims

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Application Information

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IPC IPC(8): G01N24/08
CPCY02A90/30
Inventor 孙鹏蒋滨张许刘买利
Owner INNOVATION ACAD FOR PRECISION MEASUREMENT SCI & TECH CAS
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