Design, synthesis of imidazole scaffolds as an effective larvicidal agent against Etiella zinkenella and in vitro antibacterial and antifungal evaluation against Candida albicans with DFT calculations, molecular docking technique and theoretical biological potential

Design, synthesis of imidazole scaffolds as an effective larvicidal agent against Etiella zinkenella and in vitro antibacterial and antifungal evaluation against Candida albicans with DFT calculations, molecular docking technique and theoretical biological potential

In this paper we have reported synthesis evaluation imidazole by solvent free multi component scaffolds (NEAT Reaction) by simple and very effective protocol. The characterization of compounds by 1H NMR, 13C NMR, Mass and IR spectral studies confirms the structure. The theoretical interpretations of...

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Bibliographic Details
Main Authors: Ankita M. Rayate, Manoj R. Gaware, Dnyaneshwar D. Lokhande, Amol H. Kategaonkar, Arun M. Bhagare, Bharat N. Shelke, Avinash S. Kale, Sapana S. Bhamare
Format: Article
Language:English
Published: Elsevier 2025-05-01
Series:Results in Chemistry
Subjects:
Imidazoles
Neat reaction
DFT studies
Molecular electrostatic potential
Mulliken charges
Antimicrobial activity
Online Access:http://www.sciencedirect.com/science/article/pii/S2211715625002425
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