CN113940930A - Application of rhamnazin in preparation of novel coronavirus resistant medicines and medicines - Google Patents
Application of rhamnazin in preparation of novel coronavirus resistant medicines and medicines Download PDFInfo
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- CN113940930A CN113940930A CN202111482107.0A CN202111482107A CN113940930A CN 113940930 A CN113940930 A CN 113940930A CN 202111482107 A CN202111482107 A CN 202111482107A CN 113940930 A CN113940930 A CN 113940930A
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- MYMGKIQXYXSRIJ-UHFFFAOYSA-N rhamnacene Chemical compound C=1C(OC)=CC(O)=C(C(C=2O)=O)C=1OC=2C1=CC=C(O)C(OC)=C1 MYMGKIQXYXSRIJ-UHFFFAOYSA-N 0.000 title claims abstract description 75
- 239000003814 drug Substances 0.000 title claims abstract description 56
- 241000711573 Coronaviridae Species 0.000 title claims abstract description 27
- 229940079593 drug Drugs 0.000 title claims abstract description 21
- 241001678559 COVID-19 virus Species 0.000 claims abstract description 39
- 102100031673 Corneodesmosin Human genes 0.000 claims abstract description 29
- 101710139375 Corneodesmosin Proteins 0.000 claims abstract description 29
- 241001112090 Pseudovirus Species 0.000 claims abstract description 13
- 230000027455 binding Effects 0.000 claims abstract description 11
- 208000015181 infectious disease Diseases 0.000 claims abstract description 11
- 206010035664 Pneumonia Diseases 0.000 claims abstract description 9
- 102000053723 Angiotensin-converting enzyme 2 Human genes 0.000 claims abstract description 7
- 108090000975 Angiotensin-converting enzyme 2 Proteins 0.000 claims abstract description 7
- 239000000463 material Substances 0.000 claims description 6
- 230000002401 inhibitory effect Effects 0.000 claims description 5
- 230000009870 specific binding Effects 0.000 claims description 4
- 239000002775 capsule Substances 0.000 claims description 3
- 239000008187 granular material Substances 0.000 claims description 3
- 238000002347 injection Methods 0.000 claims description 3
- 239000007924 injection Substances 0.000 claims description 3
- 239000006187 pill Substances 0.000 claims description 3
- 239000007921 spray Substances 0.000 claims description 3
- 239000003826 tablet Substances 0.000 claims description 2
- 239000003795 chemical substances by application Substances 0.000 claims 2
- 230000008685 targeting Effects 0.000 claims 1
- 230000000694 effects Effects 0.000 abstract description 10
- 238000000034 method Methods 0.000 abstract description 7
- 230000014509 gene expression Effects 0.000 abstract description 6
- 238000003032 molecular docking Methods 0.000 abstract description 4
- 101000629318 Severe acute respiratory syndrome coronavirus 2 Spike glycoprotein Proteins 0.000 abstract description 3
- 238000004458 analytical method Methods 0.000 abstract description 2
- 238000005516 engineering process Methods 0.000 abstract description 2
- 210000004027 cell Anatomy 0.000 description 9
- 210000000170 cell membrane Anatomy 0.000 description 7
- 230000005764 inhibitory process Effects 0.000 description 5
- 102000004169 proteins and genes Human genes 0.000 description 4
- 108090000623 proteins and genes Proteins 0.000 description 4
- 238000011160 research Methods 0.000 description 3
- 230000005526 G1 to G0 transition Effects 0.000 description 2
- 108060001084 Luciferase Proteins 0.000 description 2
- 239000005089 Luciferase Substances 0.000 description 2
- 241000174387 Nervilia fordii Species 0.000 description 2
- 230000003042 antagnostic effect Effects 0.000 description 2
- 239000001963 growth medium Substances 0.000 description 2
- 230000014759 maintenance of location Effects 0.000 description 2
- 150000003384 small molecules Chemical class 0.000 description 2
- 239000000243 solution Substances 0.000 description 2
- 208000024891 symptom Diseases 0.000 description 2
- 240000001851 Artemisia dracunculus Species 0.000 description 1
- 235000003092 Artemisia dracunculus Nutrition 0.000 description 1
- 206010011224 Cough Diseases 0.000 description 1
- 241001529936 Murinae Species 0.000 description 1
- 241000233855 Orchidaceae Species 0.000 description 1
- 241000208183 Pelargonium x hortorum Species 0.000 description 1
- 206010037660 Pyrexia Diseases 0.000 description 1
- VYPSYNLAJGMNEJ-UHFFFAOYSA-N Silicium dioxide Chemical class O=[Si]=O VYPSYNLAJGMNEJ-UHFFFAOYSA-N 0.000 description 1
- 208000005718 Stomach Neoplasms Diseases 0.000 description 1
- 241000700605 Viruses Species 0.000 description 1
- 230000000840 anti-viral effect Effects 0.000 description 1
- 230000003078 antioxidant effect Effects 0.000 description 1
- 239000003443 antiviral agent Substances 0.000 description 1
- 230000009286 beneficial effect Effects 0.000 description 1
- 208000037976 chronic inflammation Diseases 0.000 description 1
- 208000037893 chronic inflammatory disorder Diseases 0.000 description 1
- 239000013078 crystal Substances 0.000 description 1
- 238000012258 culturing Methods 0.000 description 1
- 230000007547 defect Effects 0.000 description 1
- 238000001514 detection method Methods 0.000 description 1
- 201000010099 disease Diseases 0.000 description 1
- 208000037265 diseases, disorders, signs and symptoms Diseases 0.000 description 1
- 208000017574 dry cough Diseases 0.000 description 1
- 206010017758 gastric cancer Diseases 0.000 description 1
- 238000004128 high performance liquid chromatography Methods 0.000 description 1
- 238000013537 high throughput screening Methods 0.000 description 1
- 125000004435 hydrogen atom Chemical group [H]* 0.000 description 1
- 238000003384 imaging method Methods 0.000 description 1
- 230000036737 immune function Effects 0.000 description 1
- 238000011835 investigation Methods 0.000 description 1
- 238000003670 luciferase enzyme activity assay Methods 0.000 description 1
- 238000004020 luminiscence type Methods 0.000 description 1
- 239000002609 medium Substances 0.000 description 1
- 238000011140 membrane chromatography Methods 0.000 description 1
- 102000006240 membrane receptors Human genes 0.000 description 1
- 108020004084 membrane receptors Proteins 0.000 description 1
- 230000003472 neutralizing effect Effects 0.000 description 1
- 239000011664 nicotinic acid Substances 0.000 description 1
- 230000002018 overexpression Effects 0.000 description 1
- 238000012856 packing Methods 0.000 description 1
- 231100000915 pathological change Toxicity 0.000 description 1
- 230000036285 pathological change Effects 0.000 description 1
- 230000002685 pulmonary effect Effects 0.000 description 1
- 102000005962 receptors Human genes 0.000 description 1
- 108020003175 receptors Proteins 0.000 description 1
- 230000010076 replication Effects 0.000 description 1
- 230000000717 retained effect Effects 0.000 description 1
- 238000012216 screening Methods 0.000 description 1
- 201000011549 stomach cancer Diseases 0.000 description 1
- 230000001502 supplementing effect Effects 0.000 description 1
- 231100000331 toxic Toxicity 0.000 description 1
- 230000002588 toxic effect Effects 0.000 description 1
- 201000008827 tuberculosis Diseases 0.000 description 1
- XLYOFNOQVPJJNP-UHFFFAOYSA-N water Substances O XLYOFNOQVPJJNP-UHFFFAOYSA-N 0.000 description 1
Classifications
-
- A—HUMAN NECESSITIES
- A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
- A61K—PREPARATIONS FOR MEDICAL, DENTAL OR TOILETRY PURPOSES
- A61K31/00—Medicinal preparations containing organic active ingredients
- A61K31/33—Heterocyclic compounds
- A61K31/335—Heterocyclic compounds having oxygen as the only ring hetero atom, e.g. fungichromin
- A61K31/35—Heterocyclic compounds having oxygen as the only ring hetero atom, e.g. fungichromin having six-membered rings with one oxygen as the only ring hetero atom
- A61K31/352—Heterocyclic compounds having oxygen as the only ring hetero atom, e.g. fungichromin having six-membered rings with one oxygen as the only ring hetero atom condensed with carbocyclic rings, e.g. methantheline
-
- A—HUMAN NECESSITIES
- A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
- A61K—PREPARATIONS FOR MEDICAL, DENTAL OR TOILETRY PURPOSES
- A61K36/00—Medicinal preparations of undetermined constitution containing material from algae, lichens, fungi or plants, or derivatives thereof, e.g. traditional herbal medicines
- A61K36/18—Magnoliophyta (angiosperms)
- A61K36/88—Liliopsida (monocotyledons)
- A61K36/898—Orchidaceae (Orchid family)
-
- A—HUMAN NECESSITIES
- A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
- A61P—SPECIFIC THERAPEUTIC ACTIVITY OF CHEMICAL COMPOUNDS OR MEDICINAL PREPARATIONS
- A61P11/00—Drugs for disorders of the respiratory system
-
- A—HUMAN NECESSITIES
- A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
- A61P—SPECIFIC THERAPEUTIC ACTIVITY OF CHEMICAL COMPOUNDS OR MEDICINAL PREPARATIONS
- A61P31/00—Antiinfectives, i.e. antibiotics, antiseptics, chemotherapeutics
- A61P31/12—Antivirals
- A61P31/14—Antivirals for RNA viruses
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- Health & Medical Sciences (AREA)
- Life Sciences & Earth Sciences (AREA)
- Pharmacology & Pharmacy (AREA)
- Natural Medicines & Medicinal Plants (AREA)
- Veterinary Medicine (AREA)
- Public Health (AREA)
- General Health & Medical Sciences (AREA)
- Chemical & Material Sciences (AREA)
- Animal Behavior & Ethology (AREA)
- Medicinal Chemistry (AREA)
- Chemical Kinetics & Catalysis (AREA)
- Engineering & Computer Science (AREA)
- Nuclear Medicine, Radiotherapy & Molecular Imaging (AREA)
- General Chemical & Material Sciences (AREA)
- Epidemiology (AREA)
- Organic Chemistry (AREA)
- Virology (AREA)
- Alternative & Traditional Medicine (AREA)
- Molecular Biology (AREA)
- Communicable Diseases (AREA)
- Biotechnology (AREA)
- Botany (AREA)
- Medical Informatics (AREA)
- Microbiology (AREA)
- Mycology (AREA)
- Oncology (AREA)
- Bioinformatics & Cheminformatics (AREA)
- Pulmonology (AREA)
- Medicines That Contain Protein Lipid Enzymes And Other Medicines (AREA)
- Medicinal Preparation (AREA)
Abstract
The invention provides application of rhamnazin in preparation of a novel coronavirus resistant drug and a drug. The invention passes SARS-CoV-2-ShThe CMC model analysis determines the binding specificity of the rhamnazin and the S protein of SARS-CoV-2; the binding site of the rhamnazin and the S protein is defined by utilizing a molecular docking technology; SARS-CoV-2 pseudovirus is used for infecting ACE2 high expression cells, and the rhamnazin is proved to have the activity of resisting the pseudovirus infection; the above techniques are clearThe rhamnazin has effects of resisting SARS-CoV-2 and pneumonia caused by the rhamnazin, and can be used for preparing anti-SARS-CoV-2 medicine.
Description
Technical Field
The invention belongs to the technical field of antiviral drug preparation, and relates to application of rhamnazin in preparation of novel coronavirus resistant drugs by taking S protein of novel coronavirus as a target, and a drug.
Background
The clinical typing of the diseases caused by SARS-CoV-2 is light, common, heavy and critical, the traditional Chinese medicine has irreplaceable effect in resisting SARS-CoV-2 pneumonia, and clinically, if early intervention can be carried out, on the basis of conventional treatment, the combined application of the traditional Chinese medicine or the prescription can obviously improve the clinical symptoms of fever, dry cough, weakness and the like of patients, the pulmonary imaging pathological changes are obviously improved, the symptom duration is effectively shortened, and the clinical cure rate is improved, so that the traditional Chinese medicine contains a material basis for inhibiting viruses, protecting host cell infection and improving the immune function.
Studies have confirmed that S protein inhibiting SARS-CoV-2 is an effective route against SARS-CoV-2 pneumonia, but at present, small molecule antagonistic drugs against SARS-CoV-2 are basically drugs inhibiting the replication of SARS-CoV-2 after entering cells, only neutralizing antibodies against S protein of SARS-CoV-2, and small molecule antagonistic drugs against S protein of SARS-CoV-2 are lacking.
Nervilia fordii (Pelargonium hortorum) is leaf or bulb-containing leaf of Douglas edulis belonging to Orchidaceae, tarragon, and is a common Chinese medicine in Guangdong and Guangxi areas of China. Has the effects of clearing away heat and toxic materials, eliminating stagnation, and eliminating tuberculosis. The rhamnazin extracted and separated from nervilia fordii has antioxidant activity, is mainly used for treating various chronic inflammatory diseases clinically, and has a certain inhibition effect on gastric cancer cells according to cytobiology research. However, the use of rhamnazin as an anti-SARS-CoV-2 pneumonia drug is still blank.
Disclosure of Invention
In order to overcome the defects of the prior art, the invention aims to provide the application of rhamnazin in preparing a novel coronavirus resistant medicament and the medicament.
In order to achieve the purpose, the invention adopts the following technical scheme to realize the purpose:
the invention discloses an application of rhamnazin in preparing a novel coronavirus resistant medicament.
Preferably, the drug is a drug capable of specifically binding to the S protein of the novel coronavirus.
Further, the drug is a drug capable of specifically binding to GLY502 site, which is an S protein of a novel coronavirus.
Further, the medicine is capable of specifically binding with the ASN501 site of the S protein of the novel coronavirus.
Further, the drug is a drug capable of specifically binding to GLN498, a S protein of a novel coronavirus.
Furthermore, the medicine is an antiviral medicine which takes S protein of the novel coronavirus as a target.
Furthermore, the medicine is a medicine which takes the S protein of the novel coronavirus as a target to resist the infection of the novel coronavirus.
The invention also provides application of the rhamnazin in preparation of a novel medicine for treating coronavirus pneumonia.
The invention also provides a novel coronavirus resistant medicine, which is a preparation prepared from rhamnazin and pharmaceutically acceptable auxiliary materials.
Preferably, the preparation is a dripping pill, a tablet, a capsule, a spray, a granule or an injection.
Compared with the prior art, the invention has the following beneficial effects:
the invention discloses the efficacy of rhamnazin in preparing anti-SARS-CoV-2 medicine. By SARS-CoV-2-ShThe CMC model analysis determines the binding specificity of the rhamnazin and the S protein of SARS-CoV-2; the binding site of the rhamnazin and the S protein is defined by utilizing a molecular docking technology; SARS-CoV-2 pseudovirus is used for infecting ACE2 high expression cells, and the rhamnazin is proved to have the activity of resisting the pseudovirus infection; the research proves that the rhamnazin has the effect of resisting SARS-CoV-2 and can be used for preparing the medicines for resisting SARS-CoV-2 and treating SARS-CoV-2 pneumonia.
Detailed Description
In order to make those skilled in the art better understand the technical solution of the present invention, the technical solution in the embodiments of the present invention will be clearly and completely described below with reference to the embodiments of the present invention, and it is obvious that the described embodiments are only a part of the embodiments of the present invention, and not all of the embodiments. All other embodiments, which can be derived by a person skilled in the art from the embodiments given herein without making any creative effort, shall fall within the protection scope of the present invention.
It is noted that the terms first, second and the like in the description and in the claims of the present invention are used for distinguishing between similar elements and not necessarily for describing a particular sequential or chronological order. It is to be understood that the data so used are interchangeable under appropriate circumstances such that the embodiments of the invention described herein are capable of operation in sequences other than those described. Furthermore, the terms "comprises," "comprising," and "having," and any variations thereof, are intended to cover a non-exclusive inclusion, such that a process, method, system, article, or apparatus that comprises a list of steps or elements is not necessarily limited to those steps or elements expressly listed, but may include other steps or elements not expressly listed or inherent to such process, method, article, or apparatus.
The present invention is described in further detail below with reference to examples:
experimental materials:
the rhamnazin molecule is C17H14O7CAS number 552-54-5, available from Szechwan Vickchi Biotech Co., Ltd
ACE2 high expressing cells were purchased from gimbals biotechnology (shanghai) ltd;
SARS-CoV-2 pseudovirus is from Shanghai Nonbebai Biotech, Inc.
Example 1 specific binding of Rhamnosin to the S protein of SARS-CoV-2
CMC is an affinity chromatogram, takes a specific receptor overexpression cell membrane as a stationary phase, and can realize high-throughput screening and membrane receptor specificity under bionic conditionsThe sex-combined components are reliable means for screening the effective components of the traditional Chinese medicine. Constructing S protein high expression cell of SARS-CoV-2, preparing cell membrane, adsorbing with activated silica gel to prepare cell membrane chromatographic stationary phase, and wet packing to obtain SARS-CoV-2-ShCMC column, HPLC detection. 293T/CMC is a protein-specific binding CMC control. As can be seen from Table 1, the rhamnazin was retained on the S protein high-expression cell membrane column of SARS-CoV-2, but not on the blank control column. The results show that the rhamnazin has good specific binding effect with the S protein of SARS-CoV-2.
TABLE 1 Retention time of Rhamnine on S protein high expression cell membrane chromatogram of SARS-CoV-2
Example 2 binding site investigation of Rhamnosin with S protein of SARS-CoV-2
Molecular docking studies were performed using SYBYL-X version 2.0. The protein X-ray crystal structure (PDB code: 6M0J) was imported. The protein structure removes water molecules and adds hydrogen atoms and utilizes the Tripos force field and Pullman charge for energy minimization. The structure of rhamnazin was mapped using SYBYL/Sketch module (Tripos Inc.) and optimized by Powell method. The convergence criterion of the Tripos force field is
Force field distribution was performed by the Gasteiger-Huckel method.
As shown in Table 2, the murine rhamnazin has 3 binding sites with the S protein of SARS-CoV-2, GLY502, ASN501 and GLN498, respectively.
TABLE 2S protein molecular docking results of rhamnazin and SARS-CoV-2
Example 3 inhibition of SARS-CoV-2 pseudovirus infection by Rhamnine on ACE2 high expression cells
ACE2 high expressing cells were seeded in 96 well plates and filled to 50 μ L of medium per well. 37 ℃ and 5% CO2The adherence is cultivated in an incubator for 2 hours. Adding rhamnazin with different concentrations prepared with culture medium, adding SARS-CoV-2 pseudovirus 5uL into each well, infecting for 4h, supplementing to 100 μ L culture volume, infecting for 6-8h, changing to 200 μ L new complete culture medium, and culturing at 37 deg.C for 48 h. Luciferase Assay System kit luminescence values were detected for Luciferase (Luciferase).
As can be seen from Table 3, rhamnazin has inhibitory effect on the infectivity of SARS-CoV-2 pseudovirus and has dose-dependence of IC50The concentration was 13.40. + -. 3.86. mu.M.
TABLE 3 Rhamnine inhibition of SARS-CoV-2 pseudovirus infection by ACE2 high expression cell results
The invention also provides a novel coronavirus resistant medicine, which is a preparation prepared from rhamnazin and pharmaceutically acceptable auxiliary materials.
The preparation is dripping pill, tablet, capsule, spray, granule or injection.
The invention discloses an application of rhamnazin in preparing anti-SARS-CoV-2 medicine. The retention behavior of rhamnazin on the S protein high-expression cell membrane chromatogram of SARS-CoV-2 virus is inspected by the cell membrane chromatography, and the specific affinity action of rhamnazin and S protein is determined. By detecting the fluorescence intensity of a SARS-CoV-2 pseudovirus infection system, the inhibition effect of the medicine on the SARS-CoV-2 pseudovirus infection is evaluated, and the medicine is determined to have definite inhibition effect on the SARS-CoV-2 pseudovirus infection. The research result confirms that the rhamnazin has good anti-SARS-CoV-2 ability, and can be used for preparing anti-SARS-CoV-2 medicine and medicine for treating SARS-CoV-2 pneumonia.
In conclusion, the rhamnazin can be specifically combined with S protein of SARS-CoV-2, has good capability of resisting SARS-CoV-2, and can be used for preparing medicaments for resisting SARS-CoV-2 virus and medicaments for treating SARS-CoV-2 pneumonia.
Claims (10)
1. Application of rhamnazin in preparing medicine for resisting novel coronavirus is provided.
2. The use of claim 1, wherein the medicament is one that specifically binds to the S protein of a novel coronavirus.
3. The use of claim 2, wherein the medicament is one that specifically binds to the GLY502 site of the S protein of a novel coronavirus.
4. The use of claim 2, wherein the drug is a drug capable of binding specifically to the ASN501 site of the S protein of a novel coronavirus.
5. The use according to claim 2, wherein the medicament is one which is capable of site-specific binding to the S protein GLN498 of a novel coronavirus.
6. Use according to claim 2, wherein the medicament is a medicament targeting the S protein of a novel coronavirus against infection by the novel coronavirus.
7. The use of claim 2, wherein the medicament is a medicament for inhibiting infection of ACE2 high expressing cells by SARS-CoV-2 pseudovirus.
8. Application of rhamnazin in preparing medicine for treating novel coronavirus pneumonia is provided.
9. The medicine for resisting the novel coronavirus is a preparation prepared from rhamnazin and pharmaceutically acceptable auxiliary materials.
10. The anti-novel coronavirus agent of claim 9, wherein the agent is a drop pill, tablet, capsule, spray, granule, or injection.
Priority Applications (1)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| CN202111482107.0A CN113940930A (en) | 2021-12-06 | 2021-12-06 | Application of rhamnazin in preparation of novel coronavirus resistant medicines and medicines |
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| CN202111482107.0A CN113940930A (en) | 2021-12-06 | 2021-12-06 | Application of rhamnazin in preparation of novel coronavirus resistant medicines and medicines |
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| CN202111482107.0A Pending CN113940930A (en) | 2021-12-06 | 2021-12-06 | Application of rhamnazin in preparation of novel coronavirus resistant medicines and medicines |
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Citations (2)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| WO2021151264A1 (en) * | 2020-01-30 | 2021-08-05 | 沈阳福洋医药科技有限公司 | Use of acylated spiramycin in preparation of medicament for treating coronavirus infectious disease |
| WO2021207213A2 (en) * | 2020-04-07 | 2021-10-14 | University Of Florida Research Foundation, Incorporated | Methods to prevent sars-cov-2 infection and treat covid-19 |
-
2021
- 2021-12-06 CN CN202111482107.0A patent/CN113940930A/en active Pending
Patent Citations (2)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| WO2021151264A1 (en) * | 2020-01-30 | 2021-08-05 | 沈阳福洋医药科技有限公司 | Use of acylated spiramycin in preparation of medicament for treating coronavirus infectious disease |
| WO2021207213A2 (en) * | 2020-04-07 | 2021-10-14 | University Of Florida Research Foundation, Incorporated | Methods to prevent sars-cov-2 infection and treat covid-19 |
Non-Patent Citations (3)
| Title |
|---|
| SOBIA AHSAN HALIM 等: "In Silico Prediction of Novel Inhibitors of SARS-CoV-2 MainProtease through Structure-Based Virtual Screening andMolecular Dynamic Simulation", 《PHARMACEUTICALS》 * |
| 吕畅等: "以血管内皮生长因子及其受体为靶点的抗肿瘤药的研究进展", 《中国药房》 * |
| 洪婷婷 等: "基于网络药理学和分子对接技术探讨射麻口服液治疗新型冠状病毒肺炎作用机制", 《辽宁中医药大学学报》 * |
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Application publication date: 20220118 |