Antagonistic polypeptide and its application in the preparation of anti-new coronavirus drugs

A coronavirus and antagonistic technology, applied in the field of biopharmaceuticals, can solve problems such as poor safety, poor efficacy, and lack of drugs

Active Publication Date: 2021-11-19
HUAZHONG UNIV OF SCI & TECH
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

[0004] The present invention solves the technical problems of lack of drugs for treating new coronavirus and SARS virus in the prior art, poor effect and poor safety, and provides an antagonistic polypeptide, which is used for preparing anti-new coronavirus and SARS virus drugs Applications

Method used

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  • Antagonistic polypeptide and its application in the preparation of anti-new coronavirus drugs

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Experimental program
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Effect test

Embodiment 1

[0038] Leu54, Phe55, Gln58 (binding pocket 1), Trp112, Phe113 (binding pocket 2) of KIM1 can bind to SARS-CoV-2 and SARS-CoV.

[0039] Obtain the crystal structure of KIM1 (PDB ID: 5DZO), SARS-CoV-2-RBD (PDBID: 6M0J) and SARS-CoV-RBD (PBD ID: 2AJF) from the Protein Data Bank database, import the Z-Dock program, find Potential binding pattern diagram. Kinetic analyzes were performed for preferred binding models. Submit 50ns kinetic calculation to study the kinetic parameters of KIM1 and SARS-CoV-2-RBD protein complex, and analyze the obtained MM-GBSA binding energy parameters. The results of molecular simulation docking showed that Leu54, Phe55, Gln58 (binding pocket 1), Trp112, Phe113 (binding pocket 2) of KIM1 could bind to Phe338, Val367, Ser371, Phe374 and Trp436 of SARS-CoV-2, and the accumulated binding The energy is -35.64kcal / mol; and the obtained MM-GBSA binding energy parameters are analyzed. The results of molecular simulation docking show that Leu54, Phe55, Gln58...

Embodiment 2

[0048] Antagonist peptide 1 of the present invention has stronger affinity to SARS-CoV-2-spike protein receptor binding domain (RBD).

[0049] Antagonist peptide 1 was modeled by homology modeling techniques and docked with the receptor binding domain (RBD) of the SARS-CoV-2-spike protein, and the binding energy parameters were analyzed. The results show that the binding energy of antagonistic peptide 1 to the receptor binding domain (RBD) of SARS-CoV-2-spike protein is -6.65kcal / mol, indicating that antagonistic peptide 1 has an effect on the receptor-binding domain of SARS-CoV-2-spike protein. (RBD) has a strong affinity.

Embodiment 3

[0051] The antagonistic peptide 1 of the present invention has no obvious cytotoxicity, and can inhibit the cell entry and cytotoxicity of the SARS-CoV-2-spike protein receptor binding domain (RBD).

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Abstract

The invention relates to antagonistic polypeptides and their application in the preparation of anti-new coronavirus drugs, belonging to the technical field of biopharmaceuticals. The antagonistic polypeptide is the amino acid sequence shown by SEQ ID NO: 1, or the antagonistic polypeptide is the amino acid sequence shown by SEQ ID NO: 1, and is at the N-terminal of the amino acid sequence shown in SEQ ID NO: 1 Or the amino acid sequence shown in SEQ ID NO: 2 from the N-terminus to the C-terminus is connected to the C-terminus; the antagonistic polypeptide can competitively bind to the receptor-binding domain of the new coronavirus or SARS virus with the cell-entry receptor. The antagonistic peptide in the present invention has strong antagonistic effect on SARS‑CoV / SARS‑CoV‑2, can effectively block SARS‑CoV / SARS‑CoV‑2 from entering cells, and inhibit SARS‑CoV / SARS‑CoV‑2 2-induced renal epithelial cell death.

Description

technical field [0001] The present invention belongs to the field of biopharmaceuticals, and more specifically, relates to an antagonistic polypeptide and its application for preparing anti-new coronavirus drugs, especially to an antagonistic polypeptide of novel coronavirus and SARS virus spike protein, which is used for preparing anti-new coronavirus And the application of SARS virus medicine. Background technique [0002] Novel coronavirus (SARS-CoV-2) infection has symptoms such as fever, cough, shortness of breath, and dyspnea, and can lead to pneumonia, kidney damage, severe acute respiratory syndrome, organ failure, and even death. [0003] At present, angiotensin-converting enzyme 2 (ACE2) is considered to be the main receptor for the new coronavirus SARS-CoV-2 and SARS-CoV to invade host cells. Membrane proteins such as ACE2 can interact with SARS-CoV-2- / SARS- The CoV spike protein receptor domain (RBD) binds to mediate viral entry, but blockade of ACE2 can lead to...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): C07K7/08A61K38/10A61P31/14
CPCA61K38/00A61P31/14C07K7/08
Inventor 黄昆杨晨陈红沈子威
Owner HUAZHONG UNIV OF SCI & TECH
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