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Rapid design method of fluorescent probe for exploring and detecting preliminary tumor screening indexes

A technology of preliminary screening and fluorescent probes, applied in health index calculation, computer-aided medical procedures, epidemic alert systems, etc., can solve problems such as lack of systems, and achieve the effect of reducing psychological pressure, facilitating popularization and improving prediction ability.

Pending Publication Date: 2022-05-13
重庆医科大学国际体外诊断研究院
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Problems solved by technology

[0004] In recent years, the update and iteration of computational chemistry software has made it possible to predict chemical structural properties. Researchers use software to predict structural properties. However, how to quickly design and screen a suitable fluorescent probe structure for a certain disease biomarker is still unclear. Lack of a complete and effective system

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  • Rapid design method of fluorescent probe for exploring and detecting preliminary tumor screening indexes
  • Rapid design method of fluorescent probe for exploring and detecting preliminary tumor screening indexes
  • Rapid design method of fluorescent probe for exploring and detecting preliminary tumor screening indexes

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specific Embodiment approach

[0029] Step 1: According to the existing database and literature, the zinc finger protein is selected as a biomarker related to tumor invasion and migration. According to the structural characteristics of the marker, it is found that quinoline has a good effect on the zinc ion in the structure of the zinc finger protein. Selectivity, so quinoline is selected as the fluorescent parent structure;

[0030] Step 2: Use the concept of combinatorial chemistry to transform it, that is, connect specific auxiliary groups to the structure of quinoline, thereby obtaining a batch of probe candidates, the candidate structures are as follows figure 1 shown;

[0031] Step 3: Use ChemDraw chemical software to construct the molecular structure of the probe candidate, use the Autodock vina program in Autodock 4.2, and use the fast gradient optimization conformational search algorithm to analyze the zinc finger protein (matrix metalloproteinase in the zinc finger protein family is selected as a ...

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Abstract

The invention discloses a rapid design method of a fluorescent probe aiming at tumor preliminary screening indexes, which comprises the following steps: firstly, selecting a biomarker-zinc finger protein related to tumor invasion and migration, and selecting quinoline as a parent structure according to the structural characteristics of the biomarker-zinc finger protein; and transforming the probe by using the concept of combinatorial chemistry to obtain a reasonable probe candidate library. Then, a gradient optimization conformation search algorithm is used, a zinc finger protein is specified, the combination effect of the zinc finger protein and various candidates is scored and evaluated, and a structure with the highest score is found; carrying out preliminary verification on the spectral property; finally, by comparing serum detection results of breast cancer patients and healthy people, it is proved that the fluorescent probe has good signal response to a sample, and the application potential of the total amount of zinc finger protein as a tumor preliminary screening index is explored. The method provided by the invention can be used for accurately and efficiently designing the fluorescent probe for exploring tumor preliminary screening indexes, and provides a new thought for realizing rapid screening of tumors.

Description

technical field [0001] The invention relates to a rapid design method of fluorescent probes for excavating and detecting primary screening indicators of tumors. Background technique [0002] Tumor invasion and metastasis are the main causes of poor prognosis and death in patients with malignant tumors. How to quickly diagnose the invasion and migration of patients' tumors has been widely concerned. At present, pathological biopsy is the gold standard for clinically judging whether a tumor will metastasize, but it takes more than a week, and it is not a rapid screening method. In addition, the patient's condition is likely to change during the process of waiting for the biopsy results. Determining the most accurate treatment plan brings obstacles, and even misses the best treatment time. At the same time, this process brings great psychological pressure to patients. At the same time, the process of discovering new tumor indicators in clinical body fluid samples also takes a...

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Application Information

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IPC IPC(8): G16H50/20G16H50/30G16H50/80
CPCG16H50/20G16H50/30G16H50/80
Inventor 胡小蕾鞠尚王元元施琼翁亚光杨晓兰李具琼项诗琪
Owner 重庆医科大学国际体外诊断研究院
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