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

Moroccan Journal of Chemistry

الناشر

University Mohammed Premier Oujda

بلد الناشر

المغرب

Indexing

Scopus

معامل التأثير

None

نوع المنشور

إلكتروني فقط

المجلد

12

السنة

2024

الصفحات

78-88