(2E)-2-(4-ethoxybenzylidene)-3,4-dihydro-2H-naphthalen-1-one single crystal: Synthesis, growth, crystal structure, spectral characterization, biological evaluation and binding interactions with SARS-CoV-2 main protease

•A new chalcone EBDN have been synthesized.•SCXRD and spectral (IR & NMR) studies were used to characterize EBDN.•Micro-Hardness, photo luminescence and thermal studies of EBDN were investigated.•Biological evaluation such as anti-inflammatory, anti-diabetic and anti-oxidant activity was studied...

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Veröffentlicht in:Journal of molecular structure 2021-11, Vol.1244, p.130967-130967, Article 130967
Hauptverfasser: Afsar, N., Jonathan, D. Reuben, Revathi, B.K., Satheesh, Dhurairaj, Manivannan, S.
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Sprache:eng
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Zusammenfassung:•A new chalcone EBDN have been synthesized.•SCXRD and spectral (IR & NMR) studies were used to characterize EBDN.•Micro-Hardness, photo luminescence and thermal studies of EBDN were investigated.•Biological evaluation such as anti-inflammatory, anti-diabetic and anti-oxidant activity was studied.•The docking studies with 6yb7 performed successfully for the EBDN compound. A new α-Tetralone based chalcone compound, (2E)-2-(4-ethoxybenzylidene)-3,4-dihydro-2H-naphthalen-1-one (EBDN) has been synthesized by Claisen–Schmidt condensation reaction of α-Tetralone (1) with 4-Ethoxybenzaldehyde (2) in basic medium. Then it was allowed to grow through slow evaporation solution growth technique. The molecular structure of grown EBDN has been systematically characterized by SCXRD, FT-IR, 1H NMR and 13C NMR spectroscopic studies. The micro-hardness, thermal (TGA & DTA) and photoluminence studies of the synthesized EBDN were also examined. The EBDN was screened for its anti-inflammatory, antidiabetic and anti-oxidant activity. It has shown admirable anti-inflammatory and antidiabetic activity. Protein-Ligand interactions of EBDN with SARS-CoV-2 main protease (PDB code: 6yb7) also performed. [Display omitted]
ISSN:0022-2860
1872-8014
DOI:10.1016/j.molstruc.2021.130967