Computational Studies on the Interaction of Organophosphorus Pesticides with Acetylcholinesterase and Butyrylcholinesterase: Quantum Chemical Cluster Model and HSAB Approaches

In the present study, the interaction between organophosphorus pesticides and cholinesterase enzymes was investigated by quantum chemical cluster model and hard-soft acid-base (HSAB) approaches. The computational results of the equilibrium structure and reaction enthalpy were used to decipher the me...

書誌詳細
出版年:	Crystals
主要な著者:	Shu-Chun Chi, Chia Ming Chang
フォーマット:	論文
言語:	英語
出版事項:	MDPI AG 2023-01-01
主題:	acetylcholinesterase butyrylcholinesterase organophosphorus pesticides quantum chemical cluster model hard-soft acid-base
オンライン･アクセス:	https://www.mdpi.com/2073-4352/13/1/153

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