In vitro biological assessment of 1,3,4-oxadiazole sandwiched by azinane and acetamides supported by molecular docking and BSA binding studies

Q2 Chemistry Current Chemistry Letters Pub Date : 2023-01-01 DOI:10.5267/j.ccl.2022.12.004
N. Virk, J. Iqbal, A. Aziz-ur-Rehman, M. Abbasi, S. Z. Siddiqui, S. Rasool, Mehr-un-Nisa Mehr-un-Nisa, M. Abid, H. Khalid, Fatiqa Zafar, Huraiza Javaid
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Abstract

The 1,3,4-Oxadiazole is an aromatic heterocyclic moiety recognized in drug research for its low lipophilicity. The multiple functionalities, heterocyclic azinane, sulfonamide, 1,3,4-oxadiazole and acetamide, are combined collectively to enhance the bioactivity potential of synthesized molecules. All the compounds were acquired by following microwave assisted and conventional techniques in a comparative way. The synthesized derivatives were screened for their antibacterial and enzyme inhibition potential. Furthermore, BSA binding analysis was executed to infer about the interaction with serum albumin. The spectral data of IR, EI-MS, 1H-NMR and 13C-NMR were used to elucidate the final structures of compounds. The synthesized compounds had a modest antibacterial potential. Compound 8f bearing 2-methyl-4,5-dinitrophenyl group was the most active one against all the bacterial strains taken into account and α-glucosidase enzyme. Compound 8d bearing 4-nitrophenyl group was the best acetyl cholinesterase inhibitor and 8i bearing phenylethyl group was the best urease inhibitor.
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1,3,4-恶二唑夹氮烷和乙酰胺的体外生物学评价,分子对接和BSA结合研究
1,3,4-恶二唑是一个芳香杂环,因其低亲脂性而在药物研究中得到认可。将杂环氮烷、磺胺、1,3,4-恶二唑和乙酰胺等多个官能团组合在一起,增强了合成分子的生物活性。所有化合物都是通过微波辅助和常规技术比较得到的。对合成的衍生物进行抑菌和抑酶活性筛选。此外,进行BSA结合分析以推断与血清白蛋白的相互作用。利用IR、EI-MS、1H-NMR和13C-NMR等光谱数据对化合物的最终结构进行了分析。合成的化合物具有一定的抗菌潜力。含2-甲基-4,5-二硝基苯基的化合物8f对所有菌株和α-葡萄糖苷酶活性最强。含4-硝基苯基的化合物8d为最佳乙酰胆碱酯酶抑制剂,含苯乙基的化合物8i为最佳脲酶抑制剂。
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来源期刊
Current Chemistry Letters
Current Chemistry Letters Chemistry-Chemistry (all)
CiteScore
4.90
自引率
0.00%
发文量
27
审稿时长
20 weeks
期刊介绍: The "Current Chemistry Letters" is a peer-reviewed international journal which aims to publish all the current and outstanding research articles, reviews and letters in chemistry including analytical chemistry, green chemistry, inorganic chemistry, organic chemistry, physical chemistry, etc. This journal is dedicated to serve all academic and industrial researchers and scientists who are expert in all major advances in chemistry research. The journal aims to provide the most complete and reliable source of information on current developments in these fields. The emphasis will be on publishing quality articles rapidly and openly available to researchers worldwide. Please note readers are free to read, download, copy, distribute, print, search, or link to the full texts of articles published on this journal. Current Chemistry Letters is an open access journal, which provides instant access to the full text of research papers without any need for a subscription to the journal where the papers are published. Therefore, anyone has the opportunity to copy, use, redistribute, transmit/display the work publicly and to distribute derivative works, in any sort of digital form for any responsible purpose, subject to appropriate attribution of authorship. Authors who publish their articles may also maintain the copyright of their articles.
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