A series of novel and biologically potent organometallic complexes using Nheterocyclic carbenes (NHCs), cephalosporin derivatives, quinolilone derivatives, vitamins and antiviral molecules as ligands has been synthesized. The geometry of the synthesized ligands and their metal adducts are done through state of the art spectral tools like NMR (1H, 11B, 19F) UV/Visible and FT-IR. It is confirmed through these spectral studies that in the NHCs the metal is bonded through the active carbine side while in other classes metal is bonded through either oxygen or through nitrogen in some cases. After synthesizing the ligand and the metals molecules are subjected to a variety of biological tests like, antibacterial, antifungal, antioxidant, Positron emission topography and ADMET studies in order to evaluate the bio-potential of the synthesized molecules. Some of the selected compounds are screened with various microorganisms like Gram positive bacteria, Gram negative bacteria and with some fungi. The results obtained are quite impressive, it can be shown that ligands in its free state possess less activity while it is clear from the results that their activity shifts to greater extent while treated with various metals. This clearly shows that metals are responsible for the bioactivity. Further, the molecular docking study was also carried out for Tin(IV) Schiff bases complex in order to correlate the biological experimental results. As in the parent study the Tin(IV) Schiff base complexes derived from piperenol and Entecavir exhibit excellent biological results which were further confirmed through molecular docking study. For some of the molecules ADMET study was also carried out in order to check/correlate the experimental data. ADMET study also confirmed the experimental results. It can be concluded from the present study that the organometallic complexes/metal molecules can serve as potent agents in curing many diseases and may prove their role as future metal base drugs.
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