Synthesis, spectral analysis, DFT studies and Biological application of (E)-3-benzylidene-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one

Autor: Rathinam Sankar, Vasuki Gnanasambandam, Santhakumar Yeswanth Kumar, Jisha Mary Thomas, Thayalaraj Christopher Jeyakumar
Jazyk: angličtina
Rok vydání: 2024
Předmět:
Zdroj: Chemical Physics Impact, Vol 8, Iss , Pp 100530- (2024)
Druh dokumentu: article
ISSN: 2667-0224
DOI: 10.1016/j.chphi.2024.100530
Popis: We have successfully synthesized our desired compound of (E)-3-benzylidene-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one by reacting with 9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one and benzaldehyde. Further structure was characterized and confirmed by 1H NMR, 13C NMR, and Mass spectral analysis. Then we have explored the electronic structure of this one by DFT studies through MESP, and FMO analysis. Molecular docking studies were performed with 2 proteins with our compound and found to be good binding energies.
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