Microwave‐Assisted One‐Pot Synthesis of 1,5‐Benzodiazepine Derivatives Using Novel <scp>ZnFe<sub>2</sub>O<sub>4</sub></scp>.Cu(<scp>OH</scp>)<sub>2</sub> Magnetic Nanocomposite as Heterogeneous Catalyst and Their Theoretical Studies as Antifungal Age
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 ZnFe 2 O 4 .Cu(OH) 2 magnetic nanocomposite as a heterogeneous catalyst under microwave irradiation with a yield range of 70%–93%. The novel ZnFe 2 O 4 .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.
Authors
- Anjaneyulu Bendi (ORCID: https://orcid.org/0000-0002-2538-507X)
- G. B. Dharma Rao (ORCID: https://orcid.org/0000-0001-5584-5519)
- Mozhgan Afshari (ORCID: https://orcid.org/0000-0001-6633-5856)
- Aditi Tiwari
- Anirudh Singh Bhathiwal
Institutions
- Infosys (India) (IN)
- Presidency University (IN)
- Analytical Services (US)
- Dr. Reddy's Laboratories (India) (IN)
- Islamic Azad University, Shoushtar Branch (IR)
- Banaras Hindu University (IN)
Publication Details
- Journal
- Journal of Heterocyclic Chemistry
- Published
- 2025-06-18
- DOI
- https://doi.org/10.1002/jhet.4954
- Primary Topic
- Multicomponent Synthesis of Heterocycles
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Islamic Azad University
- Indian Agricultural Research Institute
- Presidency University