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Pharmacological prediction method for anti-tumor angiogenesis key targets of oldenlandia diffusa

A technology of Hedyotis diffusa and angiogenesis is applied in the field of pharmacological research of active ingredients of traditional Chinese medicine, which can solve the problems of lack of theoretical research, heavy workload, lack of pharmacological prediction methods, etc., and achieve the effect of clarifying the experimental direction and saving experimental resources.

Pending Publication Date: 2022-06-03
JIANGSU VOCATIONAL COLLEGE OF MEDICINE
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Problems solved by technology

[0003] At present, the anti-tumor function of Hedyotis diffusa is still in progress. There are quite a few studies pointing to the mechanism of Hedyotis diffusa inhibiting tumor angiogenesis. There are many angiogenesis targets in HD, lack of theoretical research, and the workload will be huge if experiments are carried out blindly. At present, there is still a lack of effective pharmacological prediction methods to reveal the scientific connotation of HD anti-tumor and provide reference for rational clinical application.

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  • Pharmacological prediction method for anti-tumor angiogenesis key targets of oldenlandia diffusa

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Embodiment

[0019] Pharmacological prediction method for key targets of anti-tumor angiogenesis of Hedyotis diffusa, including the following steps:

1) Building modules: the modules include the Hedyotis diffusa component database module and the anti-tumor angiogenesis target module;

2) Using molecular docking software, batch read the components and targets in the module for molecular docking, and obtain the docking score; see the appendix for the general process. figure 1, Molecular docking is the process of mutual recognition between two or more molecules through geometric matching and energy matching. Molecular docking has shown very important application value in drug design. In the process of the interaction between enzyme activators, enzyme inhibitors and enzymes and the pharmacological reaction of drug molecules, small molecules (Ligand) and target (Receptor) are combined with each other. First, the two molecules need to be sufficiently close, and a suitable orientation should be ...

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Abstract

The invention belongs to the field of pharmacological research of active ingredients of traditional Chinese medicine, and particularly discloses a pharmacological prediction method for anti-tumor angiogenesis key targets of oldenlandia diffusa, which comprises the following steps: 1) constructing modules including an oldenlandia diffusa ingredient database module and an anti-tumor angiogenesis target module; 2) using molecular docking software to read components and target spots in the modules in batches for molecular docking, and obtaining docking scores; and 3) according to a docking scoring result, constructing a component-target action relationship database to analyze the anti-tumor angiogenesis key active substances of the oldenlandia diffusa and the targets thereof. According to the method, the oldenlandia diffusa active ingredient module and the anti-tumor angiogenesis target spot module are constructed from the construction of the database module through a data evaluation method, and the data module is called through molecular docking software to perform high-throughput simulation docking, so that accurate prediction of the oldenlandia diffusa anti-tumor angiogenesis key target spot is realized, and the prediction accuracy of the oldenlandia diffusa anti-tumor angiogenesis target spot is improved. And experimental research can be better guided.

Description

technical field [0001] The invention belongs to the field of pharmacological research of active ingredients of traditional Chinese medicines, and specifically discloses a pharmacological prediction method for key targets of anti-tumor angiogenesis of Hedyotis diffusa. Background technique [0002] Hedyotis diffusa, referred to as HD, is an annual scattered herb, 15-50cm high. Roots slender, branched, white flowers. Stems are slightly square or flat-cylindrical, smooth and glabrous, many branched from the base. Flowering spring. Seeds are brownish-yellow, small, and 3 angular. Its patent medicine is bitter, light, and cold in nature. The main functions are to clear away heat and detoxify, relieve pain and dissipate knots, diuresis and dehumidification. Especially good at treating various types of inflammation. In clinical practice, it has been found that Hedyotis diffusa can treat a variety of diseases if it is properly combined. Aliases: Hedyotis diffusa, Hedyotis jap...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G16B15/30G16B50/30G16C20/50G16C20/40G16C20/90
CPCG16B15/30G16B50/30G16C20/50G16C20/40G16C20/90Y02A90/10
Inventor 吴红雁张立虎李芳卞庆亚秦一雨张虎
Owner JIANGSU VOCATIONAL COLLEGE OF MEDICINE
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