Synthesis, α-glucosidase inhibition, and molecular docking studies of novel N-substituted hydrazide derivatives of atranorin as antidiabetic agents

Tiến sĩNguyễn Hữu HùngThuc-Huy Duong. Asshaima Paramita Devi, Nguyen-Minh-An Tran, Hoang-Vinh-Truong PhanNgoc-Vinh Huynh, Jirapast Sichaem, Hoai-Duc Tran, Mahboob Alam, Thi-Phuong Nguyen, Warinthorn Chavasiri, Tien-Cong Nguyen

Khoa Công Nghệ

Thể loại: Bài báo

Sơ lược nội dung

A series of novel N-substituted hydrazide derivatives were synthesized by reacting atranorin, a compound with a natural depside structure (1), with a range of hydrazines. The natural product and 12 new analogues (2–13) were investigated for inhibition of α-glucosidase. The N-substituted hydrazide derivatives showed more potent inhibition than the original. The experimental results were confirmed by docking analysis. This study suggests that these compounds are promising molecules for diabetes therapy. Molecular dynamics simulations were carried out with compound 2 demonstrating the best docking model using Gromac during simulation up to 20 ns to explore the stability of the complex ligand-protein. Furthermore, the activity of all synthetic compounds 2–13 against a normal cell line HEK293, used for assessing their cytotoxicity, was evaluated.

Thông tin chung
Thể loại
Bài báo
Năm xuất bản
Thg9 2020
Ngôn ngữ gốc
Tiếng Anh
Tạp chí công bố
Bioorganic & Medicinal Chemistry Letters
Ấn phẩm số
30 (17)
Loại tạp chí
Danh mục ISI
Chất lượng

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