作为强效脲酶抑制剂的新型苯并咪唑基嗪衍生物：合成、体外和硅学方法。

IF 3.2 4区医学 Q3 CHEMISTRY, MEDICINAL Future medicinal chemistry Pub Date : 2024-01-01 Epub Date: 2024-09-23 DOI:10.1080/17568919.2024.2401311

Hamidullah, Aftab Alam, Ahmed A Elhenawy, Mumtaz Ali, Abdul Latif, Ajmal Khan, Ahmed Al-Harrasi, Manzoor Ahmad

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引用次数: 0

摘要

目的：鉴于苯并咪唑和叠氮的各种生物活性，本研究重点报道了苯并咪唑核的新型衍生物：方法：对 20 种新型苯并咪唑叠氮化物进行了合成、表征和体外脲酶抑制活性测试：结果：与标准硫脲 21.14 ± 0.42 μM 相比，所有这些衍生物都表现出极好的抑制作用，IC50 值范围在 14.21 ± 1.87 到 76.11 ± 1.81 μM 之间。对目标苯并咪唑衍生物进行了 Docking 研究，以了解其结合机理。结果表明，与参考抑制剂相比，苯并咪唑衍生物具有更高的结合效力：本研究发现了新型脲酶抑制剂的潜在候选先导化合物，在工业界的支持下可用于新药开发。

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Novel benzimidazole-based azine derivatives as potent urease inhibitors: synthesis, in vitro and in silico approach.

Aim: In light of various biological activities of benzimidazole and azines, this study focuses on reporting novel derivatives of benzimidazole nucleus.Methods: Twenty novel azines of benzimidazole were synthesized, characterized and tested for in vitro urease inhibitory activity.Results: All these derivatives showed excellent to good inhibition in the range of IC₅₀ values 14.21 ± 1.87 to 76.11 ± 1.81 μM by comparing with standard thiourea 21.14 ± 0.42 μM. Docking studies were performed for the targeted benzimidazole derivatives to understand the binding mechanics. The results indicated higher binding efficacy compared with the reference inhibitor.Conclusion: This work identifies potential lead candidates for novel urease inhibitors, which with industrial support may be harnessed for the development of new drugs.

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来源期刊

Future medicinal chemistry CHEMISTRY, MEDICINAL-

CiteScore

5.80

自引率

2.40%

发文量

118

审稿时长

4-8 weeks

期刊介绍： Future Medicinal Chemistry offers a forum for the rapid publication of original research and critical reviews of the latest milestones in the field. Strong emphasis is placed on ensuring that the journal stimulates awareness of issues that are anticipated to play an increasingly central role in influencing the future direction of pharmaceutical chemistry. Where relevant, contributions are also actively encouraged on areas as diverse as biotechnology, enzymology, green chemistry, genomics, immunology, materials science, neglected diseases and orphan drugs, pharmacogenomics, proteomics and toxicology.