Application of andrographis paniculata flavonoid glycoside C in preparation of medicine for preventing and treating Covid-19

A technology of andrographis flavone glycosides and heart lotus flavone glycosides can be applied in the field of medicine and can solve the problems of not finding effective drugs and the like

Pending Publication Date: 2022-04-08
FUJIAN MEDICAL UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

So far, although global medical scientists have done a lot of work, no specific medicine ha...

Method used

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  • Application of andrographis paniculata flavonoid glycoside C in preparation of medicine for preventing and treating Covid-19
  • Application of andrographis paniculata flavonoid glycoside C in preparation of medicine for preventing and treating Covid-19
  • Application of andrographis paniculata flavonoid glycoside C in preparation of medicine for preventing and treating Covid-19

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Experimental program
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Effect test

Embodiment 1

[0024] Inhibitory effect of Andrographis paniculata flavonoid glycoside C on the proliferation of human lung epithelial cells and mouse embryonic cells:

[0025] Andrographis paniculata flavonoid glycosides (CAS: 113963-39-6, HPLC > 95%) were purchased from Shanghai Yuanye Biotechnology Co., Ltd. BEAS-2B and NIH-3T3 cells (both from the Shanghai Cell Bank of the Chinese Academy of Sciences) in 1x10 4 Cells / well density were seeded in 96-well plates. A series of concentration solutions of andrographis paniculata glycoside C of 1, 5, 10, 20, 40, 80, and 100 µM were prepared in PBS solution, and the cells were treated at 37 °C for 24 hours. Subsequently, discard the supernatant, add 100 µL of 0.5 mg / mL MTT to each well, incubate at 37˚C for 4 hours, discard the supernatant, and add 150 µL of DMSO. The absorbance of each well was measured with a microplate reader at a wavelength of 490 nm. Set the wells without andrographis flavonoid glycoside C as the control group, and the we...

Embodiment 2

[0028] Molecular docking study of Andrographis paniculata flavonoid C and ACE2:

[0029] Molecular docking was performed using Sybyl-X 1.3 and Autodock vina 21 software. The ACE2 crystal structure was downloaded from the RCSB protein database (www.RCSB.org / ), and all crystallization water, ions and ligands were removed before docking. The total score and binding affinity (Kcal / mol) were calculated as indicators to evaluate the binding efficiency between ACE2 and andrographol glycoside C. The higher the total score or the greater the negative affinity energy, the stronger the binding of the ligand-target complex.

[0030] Such as figure 2 As shown, andrographis flavonoid C had a good interaction with the active pocket of ACE2, with a high total docking score (7.411) and a low binding energy (-8.9 kcal / mol). This suggests that the formed protein-ligand complexes are in reality stable. The results showed that Andrographis paniculata flavonoid C had a strong affinity with ACE2...

Embodiment 3

[0032] Molecular dynamics simulation of andrographis flavonoid glycoside C and ACE2:

[0033] Molecular dynamics simulations (MD) of the optimal docked conformation were performed using the GROMACS 2016.3 22-24 program to assess the stability of the complex. Proteins were modeled with the Amber99sb-ildn force field and all small molecule compounds were parameterized with acpype to generate the Amber force field (GAFF). Set the size of the simulated box so that the distance between each atom of the protein and the box is greater than 1.0 nm. The binding stability of the complex in the system was analyzed according to root mean square deviation (RMSD), synthetic root mean square fluctuation (RMSF), number of hydrogen bonds formed and interaction energy.

[0034] Structural changes during 100 ns MD simulations, such as image 3 As shown, the RMSD deviation in the ACE2 / andrographol glycoside C system is basically in the range of 0.1nm, which provides a suitable basis for further...

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Abstract

The invention discloses an application of andrographis paniculata flavonoid glycoside C in preparation of a medicine for preventing and treating Covid-19. A BEAS-2B human normal pulmonary epithelial cell model, an NIH-3T3 mouse embryonic cell model, a molecular docking technology and molecular dynamics simulation are adopted to prove that the andrographis paniculata flavonoid glycoside C has no obvious toxicity on the human normal pulmonary epithelial cell and the mouse embryonic cell; the compound has a strong affinity effect and an enzymatic activity inhibition effect on angiotensinase 2 on human normal pulmonary epithelial cells. The andrographis paniculata flavonoid glycoside C can be combined with human lung epithelial cells ACE2 to block the combination of the SARS-CoV-2 and the ACE2, so that the invasion path that the SARS-CoV-2 depends on the combination with the ACE2 to enter the cells is inhibited, and the effect of preventing and treating Covid-19 is achieved. By researching the cytotoxicity of the andrographis paniculata flavonoid glycoside C and the affinity and inhibitory activity of the andrographis paniculata flavonoid glycoside C to human lung epithelial cells ACE2, a new thought and scheme are provided for research, development and production of medicines for preventing and treating Covid-19.

Description

technical field [0001] The invention belongs to the field of medicine. The invention relates to a traditional Chinese medicine monomer compound and its application, in particular to the application of andrographis flavonoid glycoside C in the preparation of drugs for the prevention and treatment of COVID-19. Background technique [0002] Since December 2019, pneumonia caused by a novel β-coronavirus, characterized by fever, dry cough, and fatigue, has posed a major threat to people all over the world. The World Health Organization named the beta-coronavirus COVID-19. This virus can be transmitted to humans through the binding of its intermediate host to the angiotensin-converting enzyme-2 (ACE-2) receptor. So far, although medical scientists around the world have done a lot of work, no specific medicine has been found, the death toll has reached 5 million, and the global epidemic of COVID-19 continues. [0003] Andrographis paniculata is a medicinal plant of the family An...

Claims

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Application Information

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IPC IPC(8): A61K31/7048A61K45/06A61P31/14
Inventor 姚宏林钻谢容芳李少光陈冰吴尤佳
Owner FUJIAN MEDICAL UNIV
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