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":"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","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":"{\"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}","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}
A promising α-glucosidase and α-amylase inhibitors based on benzimidazole-oxadiazole hybrid analogues: Evidence based in vitro and in silico studies
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.