A series of some 3d (Mn, Fe, Co, Ni, Cu and Zn) metal(II) complexes of mixed-ligands-N,N′-dimethyldithiocarbamate (SDTC) and 4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione (TFNB) have been synthesized and presented for antioxidant, antibacterial and antifungal studies. The complexes were examined for their in-vitro antioxidant potentials by employing ferrous ion chelating and DPPH scavenging methods, while the in-vitro antimicrobial screening of the unbound ligands and their mixed metal(II) complexes against bacteria-Staphylococcus aureus, Bacillus cereus (Gram (+ve)), Klebsiella pneumoniae, Pseudomonas aeruginosa and Escherichia coli (Gram (−ve)), and fungi-Aspergillus niger, Aspergillus flavous, Fusarium species using agar and disc diffusion methods respectively. The studies revealed that Co(II) complex had the highest antioxidant potential with the percentage scavenging inhibition of 75.04%. The antimicrobial screening of the complexes against the bacterial microbes showed that Cu(II) complex had the best activity with inhibitory zone range of 19.7-31.3 mm; while Fe(II) complex possesses highest fungicidal activities within the inhibitory zone range of 28.7-38.0 mm; compared to other complexes against the fungi strains. Molecular docking approach indicated that Cu(II) complex had higher binding affinity with π-sulphur and Van der Waals interactions.