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

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. [ABSTRACT FROM AUTHOR]