Microwave-Assisted One-Pot Synthesis of 1,5-Benzodiazepine Derivatives Using Novel ZnFe2O4.Cu(OH)2 Magnetic Nanocomposite as Heterogeneous Catalyst and Their Theoretical Studies as Antifungal Agents

IF 2 3区 化学 Q2 CHEMISTRY, ORGANIC
Anjaneyulu Bendi, Anirudh Singh Bhathiwal, Aditi Tiwari, G. B. Dharma Rao, Mozhgan Afshari
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引用次数: 0

Abstract

Incredible applications of 1,5-benzodiazepine derivatives in the pharmacological and biological world have encouraged us to synthesize the series of novel 2,4-disubstituted-1,5-benzodiazepine derivatives in one pot using reusable ZnFe2O4.Cu(OH)2 magnetic nanocomposite as a heterogeneous catalyst under microwave irradiation with a yield range of 70%–93%. The novel ZnFe2O4.Cu(OH)2 catalyst was characterized by XRD and TEM. The synthesized 1,5-benzodiazepine derivatives are further investigated for theoretical DFT observations using Spartan-14 software, Autodock Vina, and Discovery Studio software to study their antifungal activity effectiveness towards CaCYP51 (PDB ID-5EQB) protein and observed that almost all compounds exhibit antifungal activity.

新型ZnFe2O4.Cu(OH)2磁性纳米复合材料微波辅助一锅法合成1,5-苯二氮卓类药物及其抗真菌作用的理论研究
由于1,5-苯二氮卓类化合物在药理学和生物学领域的广泛应用,我们利用可重复使用的ZnFe2O4.Cu(OH)2磁性纳米复合材料作为非均相催化剂,在微波辐射下一锅合成了一系列新的2,4-二取代-1,5-苯二氮卓类化合物,收率在70%-93%之间。采用XRD和TEM对新型催化剂ZnFe2O4.Cu(OH)2进行了表征。利用Spartan-14软件、Autodock Vina和Discovery Studio软件对合成的1,5-苯二氮卓类衍生物进行理论DFT观察,研究其对CaCYP51 (PDB ID-5EQB)蛋白的抗真菌活性,发现几乎所有化合物都表现出抗真菌活性。
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来源期刊
Journal of Heterocyclic Chemistry
Journal of Heterocyclic Chemistry 化学-有机化学
CiteScore
5.20
自引率
4.20%
发文量
177
审稿时长
3.9 months
期刊介绍: The Journal of Heterocyclic Chemistry is interested in publishing research on all aspects of heterocyclic chemistry, especially development and application of efficient synthetic methodologies and strategies for the synthesis of various heterocyclic compounds. In addition, Journal of Heterocyclic Chemistry promotes research in other areas that contribute to heterocyclic synthesis/application, such as synthesis design, reaction techniques, flow chemistry and continuous processing, multiphase catalysis, green chemistry, catalyst immobilization and recycling.
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