Interaction of Two Cis Dioxo-Mo(vi) Complexes with DNA and BSA: Synthesis, Structural Elucidation, Hirshfield Surface Analysis and Electrochemical Evaluation

•Two novel cis-dioxido Mo(VI) complexes were synthesized and fully characterized•The structure of both Mo(VI) complexes were determined using X-ray single crystal diffraction.•Hirshfeld surface analyses were performed to explore inter-molecular interactions.•The complexes showed strong affinity for DNA grooves, with partially inserted aromatic groups into the duplex, as indicated by the interaction results.•Complexes interacted with BSA via enthalpy-driven van der Waals contacts or hydrogen bonding in fluorescence quenching studies at different temperatures.