In silico evaluation of the antioxidant activity of 4-mercaptoimidazole monosubstituted derivatives

In silico evaluation of the antioxidant activity of 4-mercaptoimidazole monosubstituted derivatives

In this study, 54 monoderivatives of 4-mercaptoimidazole (4MC) were screened for their antioxidant activity using computational simulations. It was discovered that the presence of electron-absorbing groups, such as NO2, CN, CF3, COOH, and COOCH3, increases the BDE (S-H) and IE values of 4MC, whereas...

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Bibliographic Details
Main Authors: Do Thi Ngoc Hang, Nguyen Minh Thong, Nguyen Quang Trung, Nguyen Hong Son, Nguyen Thi Trung Chinh, Mai Van Bay, Quan V. Vo
Format: Article
Language:English
Published: The University of Danang 2023-11-01
Series:Tạp chí Khoa học và Công nghệ
Subjects:
4‒mecaptoimidazole
lo enzyme
cp450 enzyme
antioxidant
admet
Online Access:https://jst-ud.vn/jst-ud/article/view/8779

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