NGHIÊN CỨU KHẢ NĂNG GẮN KẾT CỦA CÁC DẪN CHẤT CHALCON CÓ TIỀM NĂNG ỨC CHẾ ENZYM D-ACID AMIN OXIDASE BẰNG PHƯƠNG PHÁP DOCKING VÀ MÔ PHỎNG ĐỘNG LỰC HỌC PHÂN TỬ 

Summary

D-amino acid oxidase has been studied for its harmful effects on reducing NMDAR receptor activity and being associated with important pathologies such as schizophrenia and chronic degenerative disorders. Chalcone and its derivatives have also been reported to be antioxidant, antiinflammatory, anti-cancer, cardiovascular, anti-viral with a specific structure which is capable of increasing its activity. This study focused on building a docking model to evaluate binding ability of chalcone compounds on oxidase enzyme, antioxidant activity of chalcone and its derivatives, with an aim to screen for the binding ability of these compounds toward d-amino acid oxidase. Substances with the best docking results would be subjected to simulate molecular dynamics to evaluate the stability and mobility of these complexes.

Keywords: Chalcone, antioxidant, d-acid amin oxidase, docking, molecular dynamics simulation.

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