The application of corilagin in inhibiting the replication of coronavirus to exert the function of anti-coronavirus drug

A coronavirus, inhibitor technology, used in the field of medicine

Active Publication Date: 2021-09-17
MEDICINE & BIOENG INST OF CHINESE ACAD OF MEDICAL SCI
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

At present, there is no specific antiviral drug for the treatment of new coronavirus infection, and clinical treatment is mainly symptomatic and supportive

Method used

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  • The application of corilagin in inhibiting the replication of coronavirus to exert the function of anti-coronavirus drug
  • The application of corilagin in inhibiting the replication of coronavirus to exert the function of anti-coronavirus drug
  • The application of corilagin in inhibiting the replication of coronavirus to exert the function of anti-coronavirus drug

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0051] Embodiment 1, primary screening compound

[0052] The analysis of the three-dimensional structure of SARS-CoV-2 RNA polymerase has laid an important foundation for the development of drugs against new coronary pneumonia. Similar to polymerases of other RNA viruses, SARS-CoV-2RdRp exhibits a typical right-handed conformation consisting of palm (palm, amino acid residues 582-621 and 680-815), thumb (thumb, amino acid residues 819-920) and Fingers (fingers, amino acid residues 397-581 and 621-679) consist of three subdomains. The inventors of the present invention first explained and analyzed the binding mode and action mechanism of the compound at the molecular level by means of molecular docking. Using SARS-CoV-2 RdRp as the target, small molecule compounds were searched in Drugbank (8773 compounds) and TargetMol active compound database (6447 compounds) by structure-based virtual screening method. According to the calculated binding free energy data of small molecules...

Embodiment 2

[0053] Embodiment 2, the construction of recombinant plasmid and the preparation of protein

[0054] The nsp7 protein of SARS-CoV-2 is shown in sequence 1 of the sequence listing, and its expected molecular weight is 9KD. The nsp8 protein of SARS-CoV-2, as shown in sequence 3 of the sequence listing, has an expected molecular weight of 22KD. The nsp7-6His-nsp8 protein is shown as sequence 5 in the sequence listing, and the expected molecular weight is 31KD. The nsp12 protein of SARS-CoV-2 is shown in sequence 7 of the sequence listing, with an expected molecular weight of 103KD.

[0055] 1. Construction of recombinant plasmids

[0056] 1. Insert the nsp7 gene (the DNA molecule shown in Sequence 2 of the Sequence Listing) between the BamHI and NotI restriction sites of the pET-21a (+) vector to obtain a recombinant plasmid, named nsp7 recombinant plasmid.

[0057] 2. Insert the nsp8 gene (the DNA molecule shown in Sequence 4 in the Sequence Listing) between the BamHI and Not...

Embodiment 3

[0071] Embodiment 3, using biological film layer optical interference technology to measure the binding ability of compound and SARS-CoV-2RdRp

[0072] In order to verify that the candidate small molecule inhibits the activity of the polymerase by binding to the target protein SARS-CoV-2RdRp, the inventors used the biolayer optical interference (BioLayer Interferometry, BLI) technology based on the optical fiber biosensor to measure the candidate small molecule and the target protein in vitro binding ability. BLI technology can track the interaction between biomolecules in real time, and is ideal for studying the interaction of proteins and small molecular compounds.

[0073] The test compounds were: 50 compounds purchased in Example 1 (RAI-S-1 to RAI-S-50).

[0074] Test protein: nsp12-His protein prepared in Example 2. Use PBS buffer at pH 7.4 as a solvent to dilute to obtain a test protein solution (protein concentration is 150 μg / mL).

[0075] Take the test compound and...

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Abstract

The invention discloses the application of corilagin in inhibiting the replication of coronavirus so as to exert the function of anti-coronavirus drug. Corilagin, the CAS number is 23094‑69‑1, the Chinese name is Corilagin, the English name is Corilagin, and the structural formula is shown in formula (I). The present invention provides the application of the compound represented by formula (I) or a pharmaceutically acceptable salt thereof, which is the following (a) or (b): (a) in the preparation of coronavirus inhibitors; (b) in Inhibition of coronavirus applications. The present invention proves through experiments that the compound represented by formula (I) can effectively inhibit the replication of SARS-CoV-2 in vitro, has good anti-SARS-CoV-2 activity, and has important application prospects for treating SARS-CoV-2 infection.

Description

technical field [0001] The invention belongs to the field of medical technology, and specifically relates to the application of corilagin in inhibiting the replication of coronavirus so as to exert the function of anti-coronavirus drugs. Corilagin has the characteristic of combining with the RNA-dependent RNA polymerase of coronavirus, so that it can inhibit coronavirus The activity of the RNA-dependent RNA polymerase of the virus further inhibits the replication of the coronavirus. Background technique [0002] Coronavirus disease 2019 (COVID-19) is an infectious disease caused by the novel coronavirus SARS-CoV-2 (formerly known as 2019-nCoV). The virus is mainly transmitted through respiratory droplets and contact. The clinical manifestations of infected patients are fever, fatigue, dry cough, and severe cases manifest as acute respiratory distress syndrome and even death. At present, there is no specific antiviral drug for the treatment of 2019-nCoV infection, and clinic...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): A61K31/7024A61P31/14
CPCA61K31/7024A61P31/14
Inventor 岑山李泉洁衣岽戎赵建元张永欣李晓宇刘振龙
Owner MEDICINE & BIOENG INST OF CHINESE ACAD OF MEDICAL SCI
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