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Furoquinoline compound and application of the same in manufacturing anti-virus medicament

A technology of furoquinoline and anti-AIDS, which is applied in the fields of antiviral agents and organic chemistry, and can solve problems such as anti-HIV virus CypA inhibitors that have not been reported yet

Inactive Publication Date: 2008-01-23
FUDAN UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

[0004] However, so far, no one has reported CypA inhibitors with anti-HIV

Method used

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  • Furoquinoline compound and application of the same in manufacturing anti-virus medicament
  • Furoquinoline compound and application of the same in manufacturing anti-virus medicament
  • Furoquinoline compound and application of the same in manufacturing anti-virus medicament

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0041] Example 1 Virtual Screening of CypA Small Molecule Inhibitors

[0042] The Cyclophilin A (CypA, PPIA) gene has been registered in the Human Genome Database, and its accession number is NM_021130. In the PDB protein structure database, we retrieved the X-ray diffraction crystal structure of human CypA protein (PDB code: 1CWA). This structure is the crystal structure of CypA in complex with its natural inhibitor cyclosporin A (CsA). From this structure, we determined the active site of CypA, and identified several key amino acid sites in the active site that can be inhibited by CsA. Based on these structural information, we cooperated with the Shanghai Institute of Materia Medica, Chinese Academy of Sciences to screen several small molecule databases for the active site of CypA. The small molecule databases used for screening mainly include SPECS and CNPD. Finally, we screened out FD12 of the present invention. The whole calculation process is carried out on the 64CPU...

Embodiment 2

[0043] Example 2 Utilizes BIAcore Molecular Interaction Instrument to Verify Virtual Screening Results

[0044] The BIAcore molecular interaction instrument is based on surface plasmon resonance technology to track the interaction between biomolecules without any markers, thus ensuring the authenticity of the experimental results to the greatest extent. During the experiment, the target biomolecules (CypA ​​protein) were immobilized on the surface of the sensor chip, and then the small molecule compounds were dissolved in the solvent and flowed over the surface of the chip. The monitor can track the changes in the whole process of binding and dissociation between molecules in the detection solution and target biomolecules on the chip surface in real time. Based on the binding data of BIAcore, we finally identified 12 small molecular compounds that can bind to CypA, and calculated the equilibrium-dissociation constant KD of the binding of these small molecular compounds to CypA...

Embodiment 3

[0045] Example 3 Synthesis of N-[(2,3-two-2-furanoline-6-yl)amino]-(dimethylamino)-methanol

[0046] 2,3-(2-difuran)-6-aminoquinoxaline and dimethylcarbamoyl chloride are rapidly stirred at room temperature with dichloromethane as a solvent to generate N-[(2,3-2-difuranquine olin-6-yl)amino]-(N',N'-dimethylamino)-formamide.

[0047] The N-[(2,3-2-difuranolin-6-yl)amino]-(N',N'-dimethylamino)-formamide obtained above was treated with LiAlH 4 / THF reduction to obtain the target compound (ie, N-[(2,3-2-difuranolin-6-yl)amino]-(dimethylamino)-methanol).

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Abstract

The invention relates to the chemical engineering field, which relates to a small molecule compound with anti-HIV activity, the preparation method and the application. The CyPA can combine with Gag polyprotein of the human immunodeficiency virus (HIV-1). Adoption of the RNAi technology silences CypA or inhibits the activity of the CypA which can disturb the replication of the HIV-1 virus. The small molecule compound of the invention is CyPA inhibitor and has the function of resisting the HIV-1 virus, which is designed aiming at the cell targets, does not easily form drug resistance and is suitable for the requirements of the drug use for long life of AIDS sufferers. Therefore, the small molecule compound can be developed as the novel drug resisting the AIDS and provides a novel approach and means for treating and healing the AIDS.

Description

technical field [0001] The invention relates to the field of chemical industry, and relates to a small molecular compound with anti-HIV activity, its preparation method and application. Background technique [0002] Cycliphilins (CyPs) are ubiquitously distributed intracellular proteins that are highly conserved in plants, bacteria, and mammals. They were originally discovered as cellular receptors for cyclosporin A. Cyclosporin A (Cyclosporin A, CsA) is a cyclic polypeptide containing 11 amino acids isolated from fungal metabolites. As an immunosuppressant drug, it is often used clinically to treat rejection and autoimmune system after organ transplantation. disease. There are more than 130 isomers of CyPs that have been discovered and cloned [GalatA, Metcalfe SM. Peptidyl proline cis-trans iso-merases. Prog Biophys Molec Biol, 1995; 63: 67.], which constitute the Cyclophilins family. CyPs has peptide prolyl cis-trans isomerase (PPIase) activity, catalyzes the protein fol...

Claims

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Application Information

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IPC IPC(8): C07D405/14A61K31/496A61P31/18
Inventor 余龙陈帅赵雪梅蒋华良胡海荣唐丽莎
Owner FUDAN UNIV
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