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番木瓜乙醇提取物中植物化学成分与自抑制帕金森蛋白催化结构域的分子对接分析。

Molecular docking analysis of phytochemicals from ethanolic extract of crescentia cujete with the auto inhibited parkin catalytic domain.

作者信息

Anitha P, Kumar Praveen K, Shanmughavel P, Nazeema T H, Lalitha G

机构信息

Department of Biochemistry, Rathnavel Subramaniam College of Arts and Science, Coimbatore, Tamilnadu,India.

Department of Bioinformatics, Bharathiar University, Coimbatore, Tamilnadu,India.

出版信息

Bioinformation. 2020 Feb 29;16(2):189-195. doi: 10.6026/97320630016189. eCollection 2020.

DOI:10.6026/97320630016189
PMID:32405172
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7196166/
Abstract

The autoinhibited Parkin catalytic domain (PDB ID: 4BM9) receptor has been described to have a role in the ubiquitination of α-syn in Parkinson's disease. Therefore, it is of interest to discuss the molecular docking analysis data of phytochemicals from ethanolic extract of Crescentia cujete with the auto inhibited Parkin catalytic domain. We report the docking features of the phytochemical named 1, 2-Ethanediamine, N-(2-aminoethyl) with the target protein for further consideration towards the design and development of anti-Parkinson agents.

摘要

自抑制型帕金森蛋白催化结构域(蛋白质数据银行ID:4BM9)受体已被描述在帕金森病中α-突触核蛋白的泛素化过程中发挥作用。因此,探讨来自葫芦树乙醇提取物的植物化学物质与自抑制型帕金森蛋白催化结构域的分子对接分析数据很有意义。我们报告了名为1,2-乙二胺,N-(2-氨基乙基)的植物化学物质与靶蛋白的对接特征,以供进一步考虑抗帕金森病药物的设计与开发。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/378c/7196166/c618286344d1/97320630016189F4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/378c/7196166/c6fdff2e9a0f/97320630016189F1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/378c/7196166/30c4da79a67a/97320630016189F2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/378c/7196166/d595926f7295/97320630016189F3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/378c/7196166/c618286344d1/97320630016189F4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/378c/7196166/c6fdff2e9a0f/97320630016189F1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/378c/7196166/30c4da79a67a/97320630016189F2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/378c/7196166/d595926f7295/97320630016189F3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/378c/7196166/c618286344d1/97320630016189F4.jpg

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本文引用的文献

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Understanding Dopaminergic Cell Death Pathways in Parkinson Disease.了解帕金森病中的多巴胺能细胞死亡途径。
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Antioxidant activities of ethanol extracts and fractions of Crescentia cujete leaves and stem bark and the involvement of phenolic compounds.新月叶和茎皮乙醇提取物及其各馏分的抗氧化活性及酚类化合物的作用
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