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A method to fish for active small molecules from a library of mixed combinatorial chemical molecules

A technology of chemical molecules and mixed combinations, which is applied in the direction of material analysis, scientific instruments, and material separation through optical means, can solve the problems of complexes that are difficult to dissociate and combine, and the cumbersome treatment methods of separation systems, so as to achieve simple operation, The effect of small sample volume and high sensitivity

Active Publication Date: 2022-07-19
JILIN UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

There is a patent CN101339167A that uses biological mass spectrometry to screen small molecular compounds, but its separation system and pretreatment methods are very cumbersome, and it is difficult to obtain relatively pure free and bound complexes in recovery and dissociation solution

Method used

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  • A method to fish for active small molecules from a library of mixed combinatorial chemical molecules
  • A method to fish for active small molecules from a library of mixed combinatorial chemical molecules
  • A method to fish for active small molecules from a library of mixed combinatorial chemical molecules

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0029] Embodiment 1 establishes the combined method of HRMS-SERS analysis technology

[0030] 1.1 Preparation of probe materials

[0031] Synthesis of silver nanoparticles: take a 250mL three-necked flask and soak it in an acid tank overnight, take it out the next day, rinse it, and then wash it with water for injection three times to ensure that the wall is pure and free of impurities. Put in the oven to dry and cool to room temperature. During this period, 0.018 g of silver nitrate powder was accurately weighed and poured into a three-necked flask carefully. Add 100 mL of ultrapure water, shake well, connect the condenser tube and set the temperature of the electric heating mantle to 100 °C, stir and heat the solution to a slight boil, and immediately add 2 mL of 1% sodium citrate solution. Observe the color change of the solution: light yellow, dark yellow, and then gray-green, no change in color is observed, slightly lower the temperature to 90°C, continue magnetic stirr...

Embodiment 2

[0047] Example 2 Surface Enhanced Raman Spectroscopy Detection

[0048] 1. Preparation of gold (silver) nanoparticles

[0049] 1.1 Preparation of gold nanoparticles

[0050] Gold nanoparticles (AuNPs): Take a 250mL three-necked flask, wash it with aqua regia (1 part concentrated nitric acid and 3 parts concentrated hydrochloric acid), take it out the next day, rinse it and then wash it with water for injection three times to ensure that the wall is pure and free of impurities . Put in the oven to dry and cool to room temperature. Add 2 mL of 1% HAuCl to the flask 4 Add water to 200mL, connect a condenser tube, heat to 150°C with an electric heating mantle, stir and heat to reflux until slightly boiling. Add 2mL of 1% sodium citrate, control the temperature, observe the color change, from light yellow to black (110°C-120°C), then to red (90°C), cool down to 90°C, and keep the temperature for 40min to obtain gold nanoparticles dispersion system.

[0051] 1.2 Preparation of...

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Abstract

The invention discloses a method for fishing and screening active monomer components or groups of active components from a combinatorial chemical mixture library based on surface-enhanced Raman spectroscopy combined with high-resolution mass spectrometry technology (HRMS), and combining SERS and HRMS analysis technology from small molecule mixed compound groups. Fishing to screen out the active ingredient monomer or active ingredient group based on the target protein. The method has low measurement interference, low false positives, extremely small sample volume, strong signal and high sensitivity, and is easy to operate, which can realize high-throughput screening, and the compound library can be reused, which provides a new strategy for targeted drug screening. .

Description

technical field [0001] The invention belongs to the technical field of drug screening, and in particular relates to a method for fishing active small molecules from a mixed combinatorial chemical molecule library. Background technique [0002] In the process of new drug development, it is very important to discover lead candidates with biological activity. Traditional lead compound selection methods are costly, time-consuming, and have a high risk of failure. [0003] Combinatorial chemistry is a discipline that combines chemical synthesis, combinatorial theory, computer-aided design and manipulators, and ingeniously connects different building blocks repeatedly according to the combinatorial principle in a short period of time, thereby generating a large number of molecular diversity groups and forming a compound library. ), and then use the combinatorial principle to screen and optimize the library components to obtain the science of possible compound structures with targe...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G01N21/65G01N30/06G01N30/88
CPCG01N21/658G01N30/06G01N30/88
Inventor 梁重阳项金宝徐抒平戴璐
Owner JILIN UNIV
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