Synthesis, crystal structural description, DNA binding, molecular docking, and anticancer evaluation of the novel platinum(IV) supramolecular complex.

ABSTRACT: A novel platinum(IV) supramolecular complex; [PtCl₂(2,2'-bipy)₂](PtCl₆) was synthesized in aqueous acetonitrile solution at ambient temperature with constant stirring. The structure was confirmed by elemental analysis, FT-IR, UV-vis, NMR spectroscopy, and single-crystal X-ray diffraction, revealing a unique distorted octahedral geometry and a three-dimensional network stabilized by hydrogen bonding and π-π stacking. DNA binding studies, including electronic absorption titration and viscometry, indicated a groove binding mechanism with a binding constant (K_b) of 5.00 × 10⁶ M^-1. Molecular docking with DNA (PDB ID: 1BNA) and cancer-related proteins (PDB codes: 3ig7, 3eqm, 4fm9) supports these interactions, while in vitro anticancer assays

SUBMITTER: Domyati D 

PROVIDER: S-EPMC12008945 | biostudies-literature | 2025 Apr

REPOSITORIES: biostudies-literature