Target screening method for coronavirus pneumonia resistance of sophora flower bud tea

A technology of coronavirus, screening method, applied in the field of medicine, can solve the problems of turbidity, no specific drugs and vaccines for COVID-19

Pending Publication Date: 2021-01-05
张升校
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

The most common clinical feature on chest CT scans is the observation of multiple peripheral ground-glass o

Method used

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  • Target screening method for coronavirus pneumonia resistance of sophora flower bud tea
  • Target screening method for coronavirus pneumonia resistance of sophora flower bud tea
  • Target screening method for coronavirus pneumonia resistance of sophora flower bud tea

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Experimental program
Comparison scheme
Effect test

Embodiment 1

[0041] A target screening method for Huai Lei tea against coronavirus pneumonia, comprising the following steps:

[0042] Step 1. Screening of active ingredients and target prediction; search the known active ingredients of Huai Lei tea in the traditional Chinese medicine system pharmacology database and analysis platform TCMSP, set oral bioavailability OB≥30% and drug-like DL≥0.18, and screen Huai Lei tea Active ingredients, and query the target corresponding to the active ingredient, and use the Uniprot database to verify the gene name corresponding to the effective target.

[0043] Step 2. Preparation of molecular docking ligands and receptors; export the mol2 structure of the active ingredient of Huai Lei tea from TCMSP, use the MMFF94 force field to optimize the energy through Open Babel GUI, and save it in mol2 format; endow it with AutoDockTools-1.5.6 Ligand atom type, charge calculation, and define that all flexible bonds can be rotated, saved in pdbqt format; download...

Embodiment 2

[0050] A target screening method of Huai Lei tea against coronavirus pneumonia

[0051] 1. Screening and target prediction of active ingredients in Huailei Tea, Lianhua Qingwen Capsules and Jinhua Qinggan Granules

[0052] Using the traditional Chinese medicine systemic pharmacology database and analysis platform (TCMSP, http: / / tcmspw.com / tcmsp.php), retrieve the known active ingredients of Huai Lei Tea, Lianhua Qingwen Capsules and Jinhua Qinggan Granules, and set the oral bioavailability ( Oral bioavailability, OB) ≥ 30% and drug-likeness (Drug-likeness, DL) ≥ 0.18, screen the active ingredients of Huailei Tea, Lianhua Qingwen Capsules and Jinhua Qinggan Granules, and query the targets corresponding to the active ingredients, using Uniprot The database (https: / / www.uniprot.org / ) verifies the gene names corresponding to valid targets.

[0053] Screening of active ingredients and collection of potential targets:

[0054] The ingredients with OB≥30% and DL≥0.18 in the TCMSP d...

Embodiment 3

[0090] From December 2019 to June 2020, a total of 1,120 boxes of compound Huai Lei tea were donated during the epidemic period, with a total price of 308,000 yuan, and more than 10,000 people received them, including 132 people with fever symptoms. After oral administration of Huai Lei tea, the body temperature all dropped to normal. After follow-up and nucleic acid testing, all subjects were not infected with the COVID-19 virus. It can be seen that Huai Lei tea has the effect of anti-coronavirus prevention and treatment.

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Abstract

The invention discloses a target screening method for coronavirus pneumonia resistance of sophora flower bud tea, and belongs to the technical field of medicines. The method comprises the following steps: screening active components and predicting a target; preparing a molecular docking ligand and a receptor; carrying out component target molecular docking to screen active components; predicting adisease target; constructing a compound-target-disease network; and carrying out key target function enrichment analysis. According to the research, a network pharmacology method and a molecular docking technology are adopted to explore active ingredients and potential targets of sophora flower buds for COVID-19, molecular docking verification is carried out, a component-target network is constructed, and the sophora flower bud tea is compared with lianhua Qingwen capsules and golden flower Qinggan particles to explore a mechanism action channel, and an idea is provided for subsequent basic experiments.

Description

technical field [0001] The invention belongs to the technical field of medicine, and in particular relates to a target screening method of Huai Lei tea against coronavirus pneumonia. Background technique [0002] Since December 2019, the novel coronavirus pneumonia (COVID-19) caused by the new coronavirus (SARS-CoV-2) has broken out successively around the world. As of September 25, there were 32,110,656 confirmed cases of new coronary pneumonia worldwide, and 980,031 deaths example. The median incubation period of new coronary pneumonia is about 5.1 days. Common symptoms include fever, cough, fatigue, dyspnea, myalgia, headache and diarrhea. The most common clinical feature shown on chest CT scans is multiple peripheral ground-glass opacities observed in the subpleural area of ​​both lungs. There is still no specific drug or vaccine against COVID-19. [0003] SARS-CoV-2 belongs to β-coronavirus and has high gene homology with SARS and MARS. The new coronavirus 3CL hydrola...

Claims

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Application Information

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IPC IPC(8): G16C20/30G16C20/50G16C20/20G16C20/70
CPCG16C20/30G16C20/50G16C20/20G16C20/70
Inventor 张升校郭姝骏冯艺洋乔军赵蓉王灿宋珊张一凡
Owner 张升校
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