Synthesis, spectral analysis, DFT studies and Biological application of (E)-3-benzylidene-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one
oleh: Rathinam Sankar, Vasuki Gnanasambandam, Santhakumar Yeswanth Kumar, Jisha Mary Thomas, Thayalaraj Christopher Jeyakumar
| Format: | Article |
|---|---|
| Diterbitkan: | Elsevier 2024-06-01 |
Deskripsi
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.