Hamidullah, Aftab Alam, Ahmed A Elhenawy, Mumtaz Ali, Abdul Latif, Ajmal Khan, Ahmed Al-Harrasi, Manzoor Ahmad
{"title":"Novel benzimidazole-based azine derivatives as potent urease inhibitors: synthesis, <i>in vitro</i> and <i>in silico</i> approach.","authors":"Hamidullah, Aftab Alam, Ahmed A Elhenawy, Mumtaz Ali, Abdul Latif, Ajmal Khan, Ahmed Al-Harrasi, Manzoor Ahmad","doi":"10.1080/17568919.2024.2401311","DOIUrl":null,"url":null,"abstract":"<p><p><b>Aim:</b> In light of various biological activities of benzimidazole and azines, this study focuses on reporting novel derivatives of benzimidazole nucleus.<b>Methods:</b> Twenty novel azines of benzimidazole were synthesized, characterized and tested for <i>in vitro</i> urease inhibitory activity.<b>Results:</b> All these derivatives showed excellent to good inhibition in the range of IC<sub>50</sub> 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.<b>Conclusion:</b> This work identifies potential lead candidates for novel urease inhibitors, which with industrial support may be harnessed for the development of new drugs.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":null,"pages":null},"PeriodicalIF":4.3000,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Applied Electronic Materials","FirstCategoryId":"3","ListUrlMain":"https://doi.org/10.1080/17568919.2024.2401311","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENGINEERING, ELECTRICAL & ELECTRONIC","Score":null,"Total":0}
引用次数: 0
Abstract
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.