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Application of plant compounds in preparation of drugs for preventing and treating Alzheimer's disease

A technology for Alzheimer's disease and plant compounds, which is applied in the application field of plant compounds in the preparation of drugs for preventing and treating Alzheimer's disease, and achieves the effect of inhibiting the increase of ROS

Pending Publication Date: 2021-01-08
SHANGHAI JIAO TONG UNIV +2
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

[0005] Plant compounds Epigallocatechin-3-gallate (Epigallocatechin-3-gallate, EGCG), albumin (Albeginin) and melanin (Melanoxetin) whether there are potential effects, for the preparation of drugs for the prevention and treatment of Alzheimer's disease Possibility is provided, but there is no relevant information reported yet

Method used

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  • Application of plant compounds in preparation of drugs for preventing and treating Alzheimer's disease
  • Application of plant compounds in preparation of drugs for preventing and treating Alzheimer's disease
  • Application of plant compounds in preparation of drugs for preventing and treating Alzheimer's disease

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Experimental program
Comparison scheme
Effect test

Embodiment 1

[0035] Embodiment 1, the pharmacokinetic analysis of selected compound

[0036] The ADMET properties of selected plant compounds were calculated using the admetSAR server. In terms of absorption, two parameters were chosen, blood-brain barrier (BBB) ​​penetration and human intestinal absorption (HIA). The overall prediction results are shown in Table 1, justifying their good ADMET behavior, suggesting their potential use as disease-specific targets.

[0037] Table 1 ADMET distribution calculation of plant compounds

[0038]

Embodiment 2

[0039] Embodiment 2, cheminformatics analysis of plant compounds

[0040]Computational evaluation of cheminformatics properties of plant compounds. The results showed that three compounds albumin, epigallocatechin-3-gallate and melanin had better molecular weight prediction values. The molecular weights of the compounds were also comparable to the standard values. Table 2 lists the overall predicted values ​​for all compounds.

[0041] Table 2 Drug similarity analysis of 3 plant compounds

[0042] performance Albumin Epigallocatechin-3-gallate melanin Molecular weight (g / mol) 458.37 302.23 426.67 Fat-water partition coefficient value (LogP) 2.23 1.98 7.10 Number of hydrogen bond donors (HBA) 11 7 2 Number of hydrogen bond acceptors (HBD) 8 5 1 PSA (A 2 )

Embodiment 3

[0043] Example 3, Protein Sequence Retrieval, Structure Prediction, and Protein Model Structural Analysis

[0044] In the present invention, there are 14 proteins related to AD, acetylcholinesterase (AChE), RAC-α serine / threonine protein kinase (AKT-1), β-secretase-1 (BACE-1), cyclic Oxygenase 2 (COX-2), Caspase-3, Glycogen Synthase Kinase 3 (GSK-3), Interleukin 6 (IL-6), Mitogen-Activated Protein Kinase 2 (MAPK-2), Matrix Metalloproteins 8 (MMP-8), N-methyl-d-aspartate receptor (NMDAR), peptidyl arginine deiminase 2 (PAD-2), presenilin 1 (PSEN-1), promotive Mitogen-activated protein kinase 14 (MAPK-14 / P38) and tumor necrosis factor (TNF-α), these 14 proteins were used as target molecules. The amino acid sequences of the proteins AChE, AKT, BACE-1, COX-2, Caspase-3, GSK-3, IL-6, MMP-8, PAD-2, PSEN-1, MAPK-14 and TNF-alpha were obtained from UniProt The database (https: / / www.uniprot.org / ) was retrieved in FASTA format with accession numbers P37136, P47196, P56819, P35355, P55...

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Abstract

The invention relates to the technical field of biological medicines, in particular to application of plant compounds in preparation of drugs for preventing and treating Alzheimer's disease. Accordingto the application, three plant compounds of epigallocatechin 3-gallate, albumin and melanin with the highest binding affinity are selected; then Alzheimer's disease induced by centralized administration of colchicine in rats is studied by using, and molecular docking is simulated through computer simulation to obtain core structure parts of four proteins AChE, AKT-1, BACE-1 and COX-2 docked by plant compounds, which proves that the four proteins related to AD can be used as potential targets. Epigallocatechin 3-gallate, albumin and melanin not only have potential anti-inflammatory, antioxidant and anti-cholinesterase characteristics, but also can inhibit ROS rise and protect the brain from tau excessive phosphorylation and A beta plaque deposition, and can be used as a potential drug forpreventing and treating AD.

Description

technical field [0001] The invention relates to the technical field of biomedicine, in particular to the application of plant compounds in the preparation of drugs for the prevention and treatment of Alzheimer's disease. Background technique [0002] Alzheimer's disease (AD) is an irreversible, heterogeneous and progressive neurodegenerative disease characterized by cognitive and behavioral impairments. Its pathological symptoms are manifested by extracellular amyloid plaques, intracellular accumulation of neurofibrillary tangles (NFT), loss of synapses, neuroinflammation, and oxidative stress (OS). [0003] According to statistics, Alzheimer's disease is known to affect about 35 million people worldwide. Forecasts show that by 2050, the incidence of AD is expected to affect millions of people every year, and the number of patients will reach 11 million to 16 million. Studies in recent years have shown that there are a large number of amyloid plaques deposited outside the n...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): A61K31/353A61K31/56A61K31/352A61P25/28
CPCA61K31/352A61K31/353A61K31/56A61P25/28
Inventor 魏冬青阿里夫·马里克阿南·纳兹苏莱曼·瓦卡塔希尔·穆罕默德
Owner SHANGHAI JIAO TONG UNIV
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