Condensing naphthalene-2-sulfonylhydrazide with 9-ethyl-9H-carbazole-1-carbaldehyde starting materials resulting the formation of novel N'-((9-ethyl-9H-carbazol-1-yl)methylene)naphthalene-2-sulfonohydrazide Schiff base (S.B.) ligand with high yield and without having any unwanted side products. A wide range of physicochemical measurements, such as CHN-EA, UV-Vis., NMR, FT-IR, and ESI-MS were used to extensively investigate the structural properties of the desired S.B. ligand, the highest level of B3LYB/DFT also served to optimize the 3D structure of the S.B. ligand. Moreover, the experimental optical properties via the UV-Vis absorption measurements were compared to the theoretical DFT/TD-DFT study under identical conditions and using The DCM as solvent. Furthermore, to evaluate the prepared S.B. ligand as a future work drug for treating different types of infections, the LOX and COX anti-inflammatory computation capability was evaluated via the in silico molecular docking using the suitable enzymes. © 2024, University of Mohammed Premier Oujda Morocco

العنوان

Journal of Molecular Structure

الناشر

Elsevier

بلد الناشر

روسيا

نوع المنشور

مطبوع فقط

المجلد

1310

السنة

2024

الصفحات

138258