Application of baicalein in preparation of drugs for preventing and/or treating diseases caused by novel coronavirus infection
A technology of coronavirus and baicalein, which is applied in the field of medicine to achieve the effects of virus suppression and improvement of lung inflammation, improvement of respiratory function, and improvement of histopathological changes
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Embodiment 1
[0087] Prediction of baicalein's anti-coronavirus activity at the molecular level by computer virtual docking
[0088] Using the high-resolution crystal structure of SARS-CoV-2 coronavirus key protein 3CL hydrolase (Mpro) (note: the coordinates of the crystal structure can be downloaded from the PDB protein structure database (Protein Data Bank, PDB) (PDB ID: 6LU7)), Discovery studio software was used for computer virtual docking, and the molecular docking results are shown in Table 1. figure 1 Shown is the interaction diagram of Mpro and baicalein.
[0089] Table 1 Docking results of baicalein and Mpro
[0090] Baicalein docking energy Conformation 1 34.8954 Conformation 2 34.4027 Conformation 3 31.7587 Conformation 4 31.6989 Conformation 5 31.4707 Conformation 6 31.3751 Conformation 7 30.9768 Conformation 8 30.9701 Conformation 9 30.9509 Conformation 10 30.8861
[0091] The results of computer virt...
Embodiment 2
[0093] Effect of baicalein on the infectivity of SARS-CoV-2 new coronavirus
[0094] [Test drug]: see Table 2 for drug name and concentration.
[0095] [Cells]: VeroE6 cells, preserved and provided by the Pathogen Center, Institute of Medical Experimental Animals, Chinese Academy of Medical Sciences.
[0096] [Virus]: New coronavirus (SARS-CoV-2), with a titer of 105TCID50 / ml, was stored at -80°C by the Pathogen Center of the Institute of Medical Experimental Animals, Chinese Academy of Medical Sciences. A virus titer of 100TCID50 was used.
[0097] 【experimental method】
[0098] (1) In a sterile 96-well culture plate, add 200 μl to each well with a concentration of 5×10 4 cell / ml Vero E6 cells, 5% CO at 37°C 2 Cultivate for 24 hours;
[0099] (2) Dilute the test drug to 2 concentrations, each concentration has 5 replicate wells, 100 μl per well, and then add an equal volume of 100 TCID to each well 50 Virus, act for 1h;
[0100] (4) After 1 hour, discard the cell cultu...
Embodiment 3
[0117] Study on the pharmacological effects of baicalein on pneumonia at the cellular level
[0118]Select inflammatory stimuli bacterial lipopolysaccharide (LPS) and baicalein, use in vitro cell models, use in vitro cell models to investigate the cytotoxicity of inflammatory stimuli and baicalein and the inflammation-related signals in mouse macrophage Raw264.7 pathways to confirm the anti-inflammatory activity of selected baicaleins. In addition, normal human lung bronchial epithelial cells BEAS-2b were used to observe the characteristics and selectivity of baicalein on the proliferation activity of normal lung cells.
[0119] 【Sample preparation】
[0120] Baicalein (Baicalein, BC) was provided by the Institute of Materia Medica, Chinese Academy of Medical Sciences. Its structure is shown in formula (I), with a purity >98%; Caspase-1 small molecule inhibitor VX-765 was purchased from Shanghai Hanxiang Biotechnology Co., Ltd. Purity > 98%; non-steroidal anti-inflammatory dr...
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