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

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

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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.

Alzheimer's diseaseRadix et Rhizoma RheiNLRP3/Caspase-1/GSDMD signaling pathwayMolecular docking technology

Meng Zhang、Da-Bao Chen、Jing-Ya Li、Chun-Chun Zhao、Yan Wang、Biao Cai、Peng Zhou

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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

Overseas Visiting and Study Program for Excellent Young Backbone Talents in Anhui Universities国家自然科学基金Graduate Science and Technology Innovation Fund project of Anhui University of Traditional Chinese Medicine

gxgwfx2020041818733512020YB07

2022

海南医科大学学报(英文版)

海南医科大学学报(英文版)

ISSN：
年,卷(期)：2022.28(15)
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