A promising α-glucosidase and α-amylase inhibitors based on benzimidazole-oxadiazole hybrid analogues: Evidence based in vitro and in silico studies

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry Pub Date : 2024-10-01 DOI:10.1016/j.rechem.2024.101832

Hayat Ullah , Imad Uddin , Hafeeza Zafar Ali , Wagma Hassan , Gul Mehnaz , Laiba Maryam , Maliha Sarfraz , Muhammad Saleem Khan , Mohammad Shahidul Islam , Zainab M. Almarhoon , Rashid Iqbal , Muhammad Nabi

{"title":"A promising α-glucosidase and α-amylase inhibitors based on benzimidazole-oxadiazole hybrid analogues: Evidence based in vitro and in silico studies","authors":"Hayat Ullah , Imad Uddin , Hafeeza Zafar Ali , Wagma Hassan , Gul Mehnaz , Laiba Maryam , Maliha Sarfraz , Muhammad Saleem Khan , Mohammad Shahidul Islam , Zainab M. Almarhoon , Rashid Iqbal , Muhammad Nabi","doi":"10.1016/j.rechem.2024.101832","DOIUrl":null,"url":null,"abstract":"<div><div>The present study reports the design and synthesis of new benzimidazole-oxadiazole compounds as potent inhibitors of α-glucosidase and α-amylase. The synthesized molecules were characterized through different techniques such as <sup>1</sup>HNMR, <sup>13</sup>CNMR, HREI-MS and evaluated for their <em>in vitro</em> inhibitory activities against these enzymes. Among the compounds screened, compound <strong>8</strong> demonstrated the highest inhibitory activity against both <em>α</em>-glucosidase (IC<sub>50</sub> = 11.60 µM) and <em>α</em>-amylase (IC<sub>50</sub> = 6.20 µM). Molecular docking analyses were conducted to investigate the binding modes and interactions of the active compounds within the enzyme active sites. The results demonstrate that several benzimidazole-oxadiazole hybrids exhibited potent inhibitory effects on both α-glucosidase and α-amylase, suggesting their promise as antidiabetic agents<strong>.</strong></div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"11 ","pages":"Article 101832"},"PeriodicalIF":2.5000,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Results in Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2211715624005289","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

Abstract

The present study reports the design and synthesis of new benzimidazole-oxadiazole compounds as potent inhibitors of α-glucosidase and α-amylase. The synthesized molecules were characterized through different techniques such as ¹HNMR, ¹³CNMR, HREI-MS and evaluated for their in vitro inhibitory activities against these enzymes. Among the compounds screened, compound 8 demonstrated the highest inhibitory activity against both α-glucosidase (IC₅₀ = 11.60 µM) and α-amylase (IC₅₀ = 6.20 µM). Molecular docking analyses were conducted to investigate the binding modes and interactions of the active compounds within the enzyme active sites. The results demonstrate that several benzimidazole-oxadiazole hybrids exhibited potent inhibitory effects on both α-glucosidase and α-amylase, suggesting their promise as antidiabetic agents.

Abstract Image

查看原文本刊更多论文

基于苯并咪唑-恶二唑杂化类似物的α-葡萄糖苷酶和α-淀粉酶抑制剂：基于证据的体外和硅学研究

本研究报告了作为 α-葡萄糖苷酶和 α-淀粉酶强效抑制剂的新型苯并咪唑-恶二唑化合物的设计与合成。通过 1HNMR、13CNMR、HREI-MS 等不同技术对合成的分子进行了表征，并评估了它们对这些酶的体外抑制活性。在筛选出的化合物中，化合物 8 对 α-葡萄糖苷酶（IC50 = 11.60 µM）和 α-淀粉酶（IC50 = 6.20 µM）的抑制活性最高。为研究活性化合物在酶活性位点内的结合模式和相互作用，进行了分子对接分析。结果表明，几种苯并咪唑-恶二唑杂交化合物对α-葡萄糖苷酶和α-淀粉酶都有很强的抑制作用，表明它们有望成为抗糖尿病药物。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊