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Study on the mechanism and active components of Radix et Rhizoma Rhei in the treatment of Alzheimer's disease based on molecular docking

摘要Objective: To explore the mechanism and active components of Radix et Rhizoma Rhei in the treatment of Alzheimer's disease (AD) based on molecular docking. Methods: 22 major components of Radix et Rhizoma Rhei were screened from TCMSP and related literatures, which docked with the key targets of NLRP3/Caspase-1/GSDMD signaling pathway. NLRP3, Caspase-1, GSDMD inhibitors MCC950, ML132 and LDC7559 were used as positive control to analyze the docking results. Results: The docking results showed that the main components of Radix et Rhizoma Rhei had different degrees of binding with NLRP3, Caspase-1 and GSDMD targets, and the potential active components were mutanochrome and physciondiglucoside. Conclusion: Molecular docking predicts that the main components of Radix et Rhizoma Rhei may act on NLRP3/Caspase-1/GSDMD signaling pathway, and the active components may be mutanochrome and physciondiglucoside, which provides theoretical basis for revealing the anti-inflammatory mechanism and active components of Radix et Rhizoma Rhei in the treatment of AD.

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作者 Meng Zhang [1] Da-Bao Chen [1] Jing-Ya Li [1] Chun-Chun Zhao [1] Yan Wang [2] Biao Cai [3] Peng Zhou [3] 学术成果认领
作者单位 College of Integrated Traditional Chinese and Western Medicine,Anhui University of Chinese Medicine,Hefei 230012,China [1] College of Integrated Traditional Chinese and Western Medicine,Anhui University of Chinese Medicine,Hefei 230012,China;Institute of Integrated Traditional Chinese and Western Medicine,Anhui Academy of Chinese Medicine Sciences,Hefei 230012,China [2] College of Integrated Traditional Chinese and Western Medicine,Anhui University of Chinese Medicine,Hefei 230012,China;Institute of Integrated Traditional Chinese and Western Medicine,Anhui Academy of Chinese Medicine Sciences,Hefei 230012,China;Anhui Province Key Laboratory of Chinese Medicinal Formula,Hefei 230012,China [3]
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发布时间 2022-10-09(万方平台首次上网日期,不代表论文的发表时间)
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海南医科大学学报(英文版)

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