| Abstrakt: |
AbstractDe novodesign and synthesis of complexes 1,2-diaminobenzene, dichloro glycyl glycinate tin(IV) and zirconium(IV), 1and 2as molecular drug entities were carried out. The structure elucidation of 1and 2was done by analytical techniques and spectroscopic methods viz.IR, UV–vis, 1H, 13C, 119Sn NMR, ESI–Mass and XRD techniques. In vitroDNA binding studies of 1and 2by various biophysical techniques vizelectronic absorption, emission spectroscopy and circular dichroism measurements were carried out to evaluate their potential to act as chemotherapeutic candidates; furthermore, cleavage studies with pBR322plasmid DNA and computer-aided molecular docking studies were also done to study the mechanistic pathway and mode of binding at the molecular level. The observed results revealed that complex 1exhibited greater DNA binding propensity in contrast to complex 2primarily viaelectrostatic binding mode. The pBR322 DNA cleavage studies of both the complexes revealed the hydrolytic cleavage mechanism and DNA minor groove binding, which was ascertained by molecular docking studies of the drug candidate. Communicated by Ramaswamy H. Sarma |
