Some new complexes derived from Ag (I) and Pd(II) metal ions and HNA imine ligand (L) i.e. (2-[(6-Allylidene-2-hydroxy-cyclohexa-1,3-dienylmethylene)-amino]-benzoic acid) have been synthesized and characterized by elemental analyses, molar conductance, magnetic susceptibility measurements, IR, NMR and electronic spectral studies. Moreover, the stability constants of the synthesized complexes were determined spectrophotometrically. On the basis of molar conductance and elemental analyses the complexes were found to have composition [M(L)], where M = Pd(II), and Ag(I),L=ligand. The results indicate that the titled HNA imine ligand serves as tri-dentate moiety through one azomethene nitrogen atoms and two oxygen atom for coordination to Pd(II) in square planer geometry, Ag(I) in tetrahedral geometry. The theoretical DFT calculations were applied to verify the molecular geometry of chelators and their complexes. The geometry optimization results are in agreement with experimental observations. In vitro synthesized compounds have been tested against some species of plant pathogenic fungi and bacteria in order to assess their antimicrobial properties. Moreover, the interaction of the complexes with CT-DNA was supervised utilizing viscosity , gel electrophoreses and spectral studies measurements. Additionally, the cytotoxic activity of the prepared imine complexes on various cancer cell lines and shown promising results making them probable compounds of interest in antibiotic and anticancer drug researches. Furthermore, the docking study of the prepared compounds was reported.