Synthesis, Characterization, Study of Biological Activity, and Molecular Docking of Some Mannich Bases and their Coordination with Cadmium and Cobalt

Abstract This study involves the preparation of various organic compounds. Saccharin (A) is synthesized by adding hydrochloric acid to sodium saccharinate salt, with continuous stirring for 2 h. Mannich base derivatives (A1, A2) are prepared by reacting sulfanilamide with saccharin and benzaldehyde derivatives, using absolute ethanol as a solvent. Several complexes of Mannich bases (A3–A6) are obtained by reacting equimolar amounts of Mannich base derivatives (A1, A2) with the metal salt solution of cobalt and cadmium (MCln.XH 2 O), using ethanol as a solvent. The synthesized compounds and complexes are characterized using various spectroscopic techniques, including FT‐IR, and 1 H, 13 C‐NMR spectroscopy, and elemental analysis (C.H.N.S.). Additionally, their melting points, purity, molar conductivity, and magnetic susceptibility are determined. The impact of some prepared compounds and complexes on the growth of two antibiotic‐resistant bacterial strains, namely the gram‐negative Pseudomonas Aeruginosa and the gram‐positive Streptococcus Mutans , is studied. Amoxicillin, Ampicillin, and Ciprofloxacin are used as a control antibiotics. Some of the synthesized compounds exhibited significant inhibitory activity against the tested bacterial strains. Molecular docking studies are conducted for the compounds (A1, A2) against Pseudomonas Aeruginosa using the MOE software (2009). The energy minimization process is employed to achieve the most stable conformation (lowest energy barrier) for these compounds.