Scholarlink

<p>Diabetes mellitus, especially type 2 diabetes, is a metabolic disease that progresses with time and requires efficient management to avoid long-term problems. One promising approach to target Diabetes mellitus is to inhibit α-glucosidase to control postprandial hyperglycemia. In this work, new quinoline-benzoylhydrazine (<b>7a–m</b>) are designed, synthesized, and evaluated as possible α-glucosidase inhibitors. The Vilsmeier–Haack reaction was used in a multi-step process to synthesize the derivatives, and their inhibitory properties were evaluated. Kinetic analyses of the potent analog were conducted. Critical hydrogen bonding and π-π stacking interactions indicate the substantial binding affinity of the potent analog into the enzyme’s active site, as demonstrated by molecular docking and molecular mechanics with generalised born and surface area solvation (MM/GBSA) simulations. Furthermore, molecular dynamics simulations of the most potent analogs provided insights into their stability and interaction dynamics with the enzyme. These findings suggest that the designed derivatives are promising leads for developing novel α-glucosidase inhibitors to manage type 2 diabetes effectively.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Hybrid-based design and biological evaluation of quinoline-benzoylhydrazine based derivatives as α-glucosidase inhibitors

  • 期刊论文

  • 发表日期：

    2025年3月29日

查看全文
  • Mehran Ghasemi,
  • Aida Iraji,
  • Maryam Dehghan,
  • Mohammad Hashem Hashempur,
  • Somayeh Mojtabavi,
  • Mohammad Ali Faramarzi,
  • Mohammad Mahdavi,
  • Haleh Hamedifar,
  • Mir H. Hajimiri,
  • Ahmed Al-Harrasi

摘要

Diabetes mellitus, especially type 2 diabetes, is a metabolic disease that progresses with time and requires efficient management to avoid long-term problems. One promising approach to target Diabetes mellitus is to inhibit α-glucosidase to control postprandial hyperglycemia. In this work, new quinoline-benzoylhydrazine (7a–m) are designed, synthesized, and evaluated as possible α-glucosidase inhibitors. The Vilsmeier–Haack reaction was used in a multi-step process to synthesize the derivatives, and their inhibitory properties were evaluated. Kinetic analyses of the potent analog were conducted. Critical hydrogen bonding and π-π stacking interactions indicate the substantial binding affinity of the potent analog into the enzyme’s active site, as demonstrated by molecular docking and molecular mechanics with generalised born and surface area solvation (MM/GBSA) simulations. Furthermore, molecular dynamics simulations of the most potent analogs provided insights into their stability and interaction dynamics with the enzyme. These findings suggest that the designed derivatives are promising leads for developing novel α-glucosidase inhibitors to manage type 2 diabetes effectively.