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Novel Complex of Zinc (II) Dichloroethylenediamine: Synthesis, Characterization, In-silico, and In-vitro Evaluation against Cervical Cancer Cells.

Indah RayaDesy KartinaRonald Ivan WijayaRizal IrfandiEid A AbdalrazaqPrihantono PrihantonoSanti SantiEka PratiwiAndi Besse KhaerunnisaDewi LuthfianaBulkis MusaHasnah NatsirMaming MamingZaraswati Dwyana ZainuddinRamlawati RamlawatiAhmad FudholiAndi Nilawati UsmanUnang SupratmanMaulida MazayaSandi Sufiandi
Published in: Asian Pacific journal of cancer prevention : APJCP (2023)
The observed data indicated that the Zn(en)Cl2 complex bound to DNA at the nitrogenous base Guanine (DG) by coordinate covalent bonds. Interestingly, DG maintained interaction with the complex until the end of the docking simulation. Additionally, molecular dynamics (MD) simulation was conducted, and the results showed that Zn(en)Cl2 remained bound to the DNA binding pocket all through the process.
Keyphrases
  • molecular dynamics
  • dna binding
  • density functional theory
  • heavy metals
  • single molecule
  • electronic health record
  • machine learning
  • virtual reality
  • circulating tumor
  • molecular docking
  • protein protein
  • data analysis