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
- Summary
- Abstract
- Description
- Claims
- Application Information
AI Technical Summary
Problems solved by technology
Method used
Image
Examples
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...
PUM
Abstract
Description
Claims
Application Information
- R&D Engineer
- R&D Manager
- IP Professional
- Industry Leading Data Capabilities
- Powerful AI technology
- Patent DNA Extraction
Browse by: Latest US Patents, China's latest patents, Technical Efficacy Thesaurus, Application Domain, Technology Topic, Popular Technical Reports.
© 2024 PatSnap. All rights reserved.Legal|Privacy policy|Modern Slavery Act Transparency Statement|Sitemap|About US| Contact US: help@patsnap.com