A series of metal complexes of Cu(II), Ni(II), Co(II), Mn(II), Zn(II) with a tetradentate N,N`-bis(1-(4-hydroxy-6- methyl-2-oxo-2H-pyran-3-yl)ethylidene)malonohydrazide Schiff ’s base has been synthesized under solvent free conditions. Structures of the compounds were confirmed on the basis of spectroscopic data. All compounds were screened for their DNA photocleavage ability and it has been found that metal complexes showed good DNA cleaving properties. Among them Cu(II) complex acts as a potential nuclease agent as compared to ligand and other synthesized metal complexes. To explore the further biological potential on the basis of interactions between DNA gyrase and ligand in silico study was carried out using Molegro Virtual Docker.