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The post-transition '4d' Cd(II) metal complex were synthesized and characterized by the addition of neutral Schiff base (E)-N-(4-chlorobenzylidene)isonicotinohydrazide) as primary ligand and nitrite ion as mixed ligand. The Schiff base were synthesized with the addition of bio active Isoniazid and 4-chlorobenzaldehyde by eco-friendly technique (water as solvent). The synthesized complex where physically, chemically, spectroscopically and biologically characterized by various Physico-chemical, spectral and biological methods such as micro analytical data, namely elemental analysis & metal estimation, conductivity, Ultraviolet-visible, Infra-Red, Far-Infra Red, and Nuclear Magnetic Resonance (1H &13C) spectral studies. Based on the conductivity and spectral studies, the complex is neutral and non-electrolyte in nature. They have tetrahedral geometry around the Cd(II) metal ion. The in-vitro antibacterial and antifungal activities of Schiff base and Cd(II) complex were screened against E. coli and A. Niger by Agar disc diffusion method using Chloramphenicol and Fluconazole as standard control and DMSO as a solvent control. The results indicate that the complex have more potent than the Schiff base due to the chelation. The pharmacological studies of Schiff base and Cd(II) complex also predicted using a computational method by Swiss ADME software. The lipophilicity and medicinal chemistry importance of the Schiff base and Cd(II) complex were predicted and confirmed by the bio-potential activities.
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