From network pharmacology to molecular docking analysis of sterubin targets for Alzheimer.

IF 1.9 Bioinformation Pub Date : 2024-04-30 eCollection Date: 2024-01-01 DOI:10.6026/973206300200327
Sittarthan Viswanathan, Thennavan Arumugam, Rengaraj Sivaraj, Srihari Subhashri Rajendran, Vimalavathini Ramesh, Kavimani Subramanian, A Hannah Rachel Vasanthi
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Abstract

Sterubin (7-O-Methyleriodicytol), a flavanone compound isolated from the leaves of Eriodicyton californicum and Eriodicyton angustifolium, has neuroprotective, anti-inflammatory, and antioxidant properties. Therefore, it is of interest to identify the potential targets for Alzheimer disease using network pharmacology. We report 25 overlapping targets among 100 potential targets of sterubin and 673 known targets of Alzheimer. APP, BACE-1, and AChE were among the ten hub targets enriched in biological processes and pathways relevant to Alzheimer's disease. Subsequent, molecular docking analysis shows that sterubin have optimal binding features with these hub gene targets for further consideration.

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从网络药理学到针对阿尔茨海默氏症的固醇蛋白靶点的分子对接分析。
Sterubin(7-O-Methyleriodicytol)是一种从加利福尼亚糙叶桉树(Eriodicyton californicum)和藁本糙叶桉树(Eriodicyton angustifolium)叶片中分离出来的黄酮化合物,具有神经保护、抗炎和抗氧化特性。因此,利用网络药理学确定阿尔茨海默病的潜在靶点很有意义。我们在固醇素的 100 个潜在靶点和阿尔茨海默病的 673 个已知靶点中发现了 25 个重叠靶点。其中,APP、BACE-1 和 AChE 是富含与阿尔茨海默病相关的生物过程和通路的 10 个中心靶点。随后的分子对接分析表明,固醇素与这些枢纽基因靶点具有最佳结合特征,值得进一步考虑。
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来源期刊
Bioinformation
Bioinformation MATHEMATICAL & COMPUTATIONAL BIOLOGY-
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