In vitro and in silico perspectives on the activation of antioxidant responsive element by citrus-derived flavonoids

Introduction Oxidative stress plays an essential role in the pathogenesis of chronic diseases. Disrupting Keap1-Nrf2 pathway by binding Keap1 is identified as a potential strategy to prevent oxidative stress-related Therefore, special interest utilization dietary antioxidations from citrus, including narirutin, naringenin, hesperetin, hesperidin, naringin, neohesperidin dihydrochalcone, neohesperidin, and nobiletin, has been exploited prospective way treat or several human pathologies inhibitors for modulation antioxidant properties. Methods To probe into structural foundation molecular identification citrus-derived antioxidations, we calculated responsive element activation ability flavonoids after with Keap1. Also, quantum chemistry properties mode were performed theoretically frontier orbitals, electrostatic analysis, docking, absorption, distribution, metabolism, excretion (ADME) calculation. Results discussion Experimental findings combining computational assays revealed that tested can be grouped strong agonists weak agonists. The well housed bound zone via stable hydrogen bonding hydrophobic interaction. Eventually, three eight ADME physicochemical evaluations. antioxidants interaction, used improve