Identification of the Role of Ajoene from Aegle marmelos Correa for its Anti-Diabetic Action: Role of NRF2/KEAP-1 Signaling

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DOI: 10.21522/TIJPH.2013.SE.24.03.Art003

Authors : Selvaraj Jayaraman, Vishnu Priya Veeraraghavan, Sridevi Gopathy, Ponnulakshmi Rajagopal, Heera M. J, Manju P, Kritika C, Sureka Varalakshmi V, Chella Perumal Palanisamy, Ramajayam Govindan, Saravanan Radhakrishnan

Abstract:

Diabetes mellitus is a chronic metabolic disorder that affects millions of people worldwide. The management of diabetes is a significant for new and effective therapeutic agents. Ajoene, a compound found in garlic, has been shown to have anti-diabetic properties. The Nrf2/Keap-1 signaling pathway has been identified as a potential target for the treatment of diabetes. The aim of this study is to investigate the role of ajoene from Aegle Marmelos Correa in the activation of the Nrf2/Keap-1 signaling pathway and its potential as an anti-diabetic agent. In silico analysis was performed using molecular docking and molecular dynamics simulations to investigate the interaction between ajoene and the Nrf2/Keap-1 signaling pathway. The molecular docking studies revealed that ajoene binds to the Nrf2/Keap-1 complex with high affinity, indicating a potential interaction between ajoene and Cul3 was establishment of a single hydrogen bond involving ILE258. This interaction contributed to the formation of a binding pocket encompassing key residues such as LEU-253, ILE-258, VAL-260, LEU-266, LEU-292. These findings suggest that ajoene may activate the Nrf2/Keap-1 signaling pathway, leading to the upregulation of antioxidant genes and the inhibition of oxidative stress, which are known to contribute to the development of diabetes. The results of this study suggest that ajoene from Aegle Marmelos Correa may have potential as anti-diabetic agent through its activation of the Nrf2/Keap-1 signaling pathway. The specific interaction between ajoene and Cul3, characterized by the establishment of a single hydrogen bond involving ILE258, contributes to the formation of a binding pocket encompassing key residues.

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