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Application of anthocyanin screened based on molecular simulation technology in inhibiting malignant biological behaviors of colon cancer cells

A colon cancer cell, molecular simulation technology, applied in inhibiting the malignant biological behavior of colon cancer cells, in the field of anthocyanins screened by molecular simulation technology, to inhibit the malignant biological behavior of cells, have a significant cytotoxic effect, and increase the content of MDA. Effect

Pending Publication Date: 2020-07-24
LIAONING UNIVERSITY
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

At present, there is no report on the use of molecular simulation technology to screen anthocyanins that have the effect of inhibiting colon cancer

Method used

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  • Application of anthocyanin screened based on molecular simulation technology in inhibiting malignant biological behaviors of colon cancer cells
  • Application of anthocyanin screened based on molecular simulation technology in inhibiting malignant biological behaviors of colon cancer cells
  • Application of anthocyanin screened based on molecular simulation technology in inhibiting malignant biological behaviors of colon cancer cells

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Experimental program
Comparison scheme
Effect test

Embodiment 1

[0022] 1. Molecular docking test

[0023] Use AutoDockTools-1.5.6 software to simulate, extract the three-dimensional structure of β-catenin in Caco-2 cells (PDB ID: 1JDH) from PDBBank, and extract the three-dimensional structure of anthocyanins from the Pubchem open chemical database. A grid of spacing covers the entire surface of β-Catenin to set the spatial extent for protein and anthocyanin docking. In the docking analysis, Lamarck genetic algorithm was used, and AutoDockTools-1.5.6 software was used to dock anthocyanins and β-catenin proteins, and the results were checked. The results showed that cyanidin-3-galactoside, cyanidin-3-glucoside and cyanidin-3-xyloside had particularly prominent inhibitory effects.

[0024] 2. Image analysis

[0025] Molecular docking results see figure 1 ,Table 1.

[0026] As a key signaling molecule in the Wnt / β-catenin signaling pathway, it is commonly expressed in cancer cells. Such as figure 1 , as shown in Table 1, after screening...

Embodiment 2

[0029] Example 2 Research experiment of anthocyanins on the malignant biological behavior of cancer cells

[0030] 1. Cell culture

[0031] Colon cancer cell line Caco-2 Routine culture in DMEM supplemented with 10% fetal bovine serum (10% FBS) and 1% penicillin / streptomycin trypsin EDTA at 37°C in 5% CO 2 Cell collection and the entire culture process were performed in humidified air. Cell experiments are grouped as follows:

[0032] (1) Caco-2 cell normal control group; DEME medium treated Caco-2 cell (A);

[0033] (2) cyanidin-3-xyloside (60 μg / ml) treated Caco-2 cell group (B);

[0034] (3) cyanidin-3-glucoside (60 μg / ml) treated (60 μg / ml) Caco-2 cells (C);

[0035] (4) cyanidin-3-galactoside (60 μg / ml) treated (60 μg / ml) Caco-2 cells (D);

[0036] (5) Positive control group: Caco-2 cells were treated with tea polyphenols (EGCG; 200 μg / ml) (E).

[0037] 2. Experimental inspection

[0038] Caco-2 cells were treated with 1×10 4 Inoculated in a 96-well plate at a d...

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Abstract

The invention relates to an application of anthocyanin screened based on the molecular simulation technology in inhibiting malignant biological behaviors of colon cancer cells. On the basis of computer simulation, a large amount of anthocyanin with an outstanding docking effect is screened, cancer cells are taken as a model, and the influence of anthocyanin on malignant biological behaviors of thecancer cells is inspected, so that the anthocyanin is proved to have the capacity of promoting cancer cell apoptosis and can be applied to anti-cancer treatment research.

Description

technical field [0001] The invention belongs to the field of molecular biology, and in particular relates to the application of anthocyanins screened by molecular simulation technology in inhibiting the malignant biological behavior of colon cancer cells. Background technique [0002] Molecular docking is the process of mutual recognition between two or more molecules through geometric matching and energy matching. Molecular docking has demonstrated very important application value in drug design. It is widely used in the interaction between enzyme activators, enzyme inhibitors and enzymes, and the pharmacological reactions of drug molecules. [0003] Colon cancer is one of the common malignant tumors of the digestive tract, ranking third in the mortality rate of malignant tumors. The pathogenesis of colorectal cancer is complex, which is the result of multi-gene, multi-factor and multi-stage participation. Epidemiological studies have shown that an unbalanced diet (high ...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G16C20/50G16C10/00G16C20/70G16C20/40C12Q1/02G06N3/12
CPCG16C20/50G16C10/00G16C20/70G16C20/40G01N33/5011G06N3/126
Inventor 魏杰于文辰郝若冰高军范俊岗
Owner LIAONING UNIVERSITY
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