Nuaman F. Alheety, Bilal J. M. Aldahham, Noureddine Raouafi, Ahmed M. Mohammed, Mustafa A. Alheety, Rafaâ Besbes
{"title":"Molecular Docking Studies of Novel Benzimidazole Macromolecules","authors":"Nuaman F. Alheety, Bilal J. M. Aldahham, Noureddine Raouafi, Ahmed M. Mohammed, Mustafa A. Alheety, Rafaâ Besbes","doi":"10.1002/masy.202400232","DOIUrl":null,"url":null,"abstract":"<p>Biologically active benzimidazole derivatives are successfully prepared. The produced compound 2-hydrazinobenzimidazole (<b>N1</b>) and 5-methoxy-2-hydrazinobenzimidazole (<b>N2</b>) have been synthesized via reacting aqueous hydrazine with 2-mercaptobenzimidazole (MBI) and 5-methoxy-2-mercaptobenzimidazole (MMBI), respectively. These two compounds are used to prepare the compounds <b>N3–N11</b>. The synthesized compounds are characterized by physical and spectroscopic techniques. Molecular docking of synthesized compounds indicates that compound <b>N5</b>, <b>N10</b>, and <b>N11</b> have good antitumor properties. Furthermore, the theoretical studies prove that all the synthetic compounds in the study showed good lipophilicity, with a range of 0.132–3.739.</p>","PeriodicalId":18107,"journal":{"name":"Macromolecular Symposia","volume":"414 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Macromolecular Symposia","FirstCategoryId":"1085","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/masy.202400232","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"Materials Science","Score":null,"Total":0}
引用次数: 0
Abstract
Biologically active benzimidazole derivatives are successfully prepared. The produced compound 2-hydrazinobenzimidazole (N1) and 5-methoxy-2-hydrazinobenzimidazole (N2) have been synthesized via reacting aqueous hydrazine with 2-mercaptobenzimidazole (MBI) and 5-methoxy-2-mercaptobenzimidazole (MMBI), respectively. These two compounds are used to prepare the compounds N3–N11. The synthesized compounds are characterized by physical and spectroscopic techniques. Molecular docking of synthesized compounds indicates that compound N5, N10, and N11 have good antitumor properties. Furthermore, the theoretical studies prove that all the synthetic compounds in the study showed good lipophilicity, with a range of 0.132–3.739.
期刊介绍：
Macromolecular Symposia presents state-of-the-art research articles in the field of macromolecular chemistry and physics. All submitted contributions are peer-reviewed to ensure a high quality of published manuscripts. Accepted articles will be typeset and published as a hardcover edition together with online publication at Wiley InterScience, thereby guaranteeing an immediate international dissemination.
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