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    Synthesis, physicochemical, thermal, and XRD/HSA interactions of mixed [Cu(Bipy)(Dipn)](X)2 complexes: DNA binding and molecular docking evaluation

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    21. J. Coord. Chem. 2020, 73, 3236-3248.pdf (2.190Mb)
    Date
    2020-01-01
    Author
    Al-Zaqri, Nabil
    Salih, Kifah S.M.
    Awwadi, Firas F.
    Alsalme, Ali
    Alharthi, Fahad A.
    Alsyahi, Amjad
    Ali, Anas Al
    Zarrouk, Abdelkader
    Aljohani, Meshari
    Chetouni, Ahmed
    Warad, Ismail
    ...show more authors ...show less authors
    Metadata
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    Abstract
    Two water-soluble dicationic complexes, [Cu(bipy)(dipn)](BF4)2 (1) and [Cu(bipy)(dipn)](NO3)2 (2) (bipy = 2.2-bipyridine and dipn = dipropylenetriamine), were synthesized in high yields. The desired complexes were characterized by CHN-EA, UV–Vis, SEM, EDS, FT-IR, TGA, and XRD. The single-crystal XRD of [Cu(bipy)(dipn)](BF4)2 reflected that Cu(II) complex is formed in a distorted square pyramid configuration. The Hirshfeld surface analysis (HSA) confirmed more powerful atom–atom interaction, the hydrogen bonding in H…F, supporting the outcome of XRD. The influences of the CT-DNA/complexes were gathered by viscosity, CV, and electronic absorption measurements. The estimated binding constants (Kb) for 1 and 2 were 4.5 × 104 and 3.4 × 104 M−1, respectively. Complex 2 revealed slightly poorer DNA binding capability than 1. Eventually, the molecular docking of [Cu(bipy)(dipn)]+2 species was evaluated and demonstrated employing 1BNA-DNA segment.
    URI
    https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85095733187&origin=inward
    DOI/handle
    http://dx.doi.org/10.1080/00958972.2020.1841898
    http://hdl.handle.net/10576/25935
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    • Chemistry & Earth Sciences [‎601‎ items ]

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