SYNTHESIS, MOLECULAR SIMULATION, AND ANTIOXIDANT CAPABILITY OF A NEW CLASS OF 2-PHENYL-1-BENZOPYRAN-4-ONE ON HUMAN MYELOPEROXIDASE ENZYME

The aim of the study was synthesis and characterization of 2-phenyl-1-benzopyran-4-one as a potential myeloperoxidase inhibitor. The oxidative stress was related to the generation of Reactive oxygen species (ROS), which is responsible for the enhancement of several degenerative diseases, such as osteoarthritis, cancer, diabetes, cardiovascular diseases, etc. Due to this fact, the study was targeted for the development of myeloperoxidase inhibitor for overcoming the oxidative stress. The molecular docking analysis were afforded that the titled compounds posses noteworthy potency against myeloperoxidase (PDB ID: 1DNU). The docking simulation of twenty hybrid of flavone showed the better binding score ranging between -6.66 to -8.56 kcal/mol. Based on the result, the synthesised compounds were screened for the evaluation of various in-vitro antioxidant studies. In which, the hydroxyl substituted flavones (HF1-HF8) were posses significant IC₅₀ values compared with their respective standards due to their electron donating property over the radical responsible for oxidative stress. The docking score and in-vitro study of antioxidant activity were well correlated, which confirmed the antioxidant property of titled compounds and could act as a promising inhibitor to target the myeloperoxidase enzyme. The study summarised that these scaffolds were plays for free radical scavenging property in the management of many chronic diseases.