Synthesis, Characterization, Biological and in silico ADMET Studies of Mixed Ligand Transition Metal Complexes Based on Novel Schiff Base and 1,10-Phenanthroline

The main objective of this work is to mitigate the challenges associated with the use of platinum-based chemotherapy drugs through investigating chemotherapeutic compounds based on mixed ligand transition metal complexes. Thus, Cu(II), Co(II), Ni(II) and Zn(II) complexes were synthesized from novel Schiff base compound derived from 2-amino-3-hydroxypyridine and 5-chloro-2-nitrobenzaldehyde and the co-ligand 1,10-phenanthroline. The spectral investigations were conducted to characterize the synthesized compounds and revealed that they possess an octahedral structure. The interactions of synthesized compounds with calf thymus DNA (ct-DNA) demonstrated that the binding takes place through an intercalation. Comparatively to Schiff base ligand, the synthesized transition metal complexes proved to be better anti-pathogenic agent when tested against bacteria. The prepared compounds possess more the biological capability, according to in silico ADMET study, which may attributed to the presence of two N-heterocyclic ligands. The computational screening of biological activities related to cancer activity using PASS software propose the drug-like nature of the compounds.