Brief Research on the Biophysical Study and Anticancer Behavior of Pt(II) Complexes: Their DNA/BSA Binding, Molecular Docking, and Cytotoxic Property

Abstract

The potent bidentate carrier ligand 2-picolylamine (pic) has been used to synthesize Pt(II) complexes to know their bioactivity and anticancer property as reflected by PASS prediction software. The dichloro Pt(II) complex [Pt(pic)Cl 2 ], Pt-1, and its hydrolyzed diaqua complex [Pt(pic)(OH 2 ) 2 ] 2+ , Pt-2, were synthesized. The thiol-containing Pt(II) complexes [Pt(pic)(Lcys)] + , Pt-3, and [Pt(pic)(L-ac-L-cy)] + , Pt-4, were synthesized from Pt-2, which was obtained from hydrolysis of Pt-1. Their biomolecular interactions with BSA and DNA were executed by spectroscopic methods, and their cytototoxic property was tested by the MTT assay. In vitro biomolecular interactions of Pt(II) complexes with BSA and DNA were investigated by different spectroscopic and viscosity measurement methods for their pharmacokinetic and pharmacodynamic importance. The conformational change of BSA in the presence of a drug candidate was studied by Forster resonance energy transfer calculation and synchronous and three-dimensional fluorescence spectroscopic studies. A theoretical approach on optimization structures, highest occupied molecular orbital−lowest unoccupied molecular orbital energy, global reactivity parameters, time-dependent density functional theory, and molecular docking with BSA and DNA was executed to strengthen and support the experimental observations. In vitro cytotoxic profiles of the complexes like the anticancer activity and their level of reactive oxygen species production were brought under consideration on A549 cancer cells and the normal human embryonic kidney cell line HEK-293. The cytotoxic property was compared with that of the recognized anticancer drug cisplatin.

Anticancer Potential of Dendritic Poly(aryl ether)-Substituted Polypyridyl Ligand-Based Ruthenium(II) Coordination Entities

“…To predict the possibility of intercalation, 1Z3F (DNA with intercalation gap) was used for docking purposes. On the other hand, the possibility of intercalation, groove binding was predicted using the DNA with a canonical gap of 1BNA . The lowest-energy docked poses of RuG0 , RuG1 , and RuG2 and cisplatin with both types of DNA (1Z3F and 1BNA) are illustrated in Figures and .…”

“…On the other hand, the possibility of intercalation, groove binding was predicted using the DNA with a canonical gap of 1BNA. 80 The lowest-energy docked poses of RuG0, RuG1, and RuG2 and cisplatin with both types of DNA (1Z3F and 1BNA) are illustrated in Figures 13 and 14. The docking binding energies of both types of DNA are shown in Tables 4 and 5.…”

Biophysical study on DNA and BSA binding activity of Cu(II) complex: Synthesis, molecular docking, cytotoxic activity, and theoretical approach

“…However, if the fluorophore moves while in its excited state, the polarization of the light that is released will be different. By maintaining the excitation wavelength at 370 nm and the emission wavelength at 480 nm, fluorescence polarization anisotropy tests were carried out 37 . The mixture was incubated for 5 min for each reading to establish a stable complex.…”

“…By maintaining the excitation wavelength at 370 nm and the emission wavelength at 480 nm, fluorescence polarization anisotropy tests were carried out. 37 The mixture was incubated for 5 min for each reading to establish a stable complex. The fluorescence anisotropy (r) is introduced in order to measure this loss of polarization and is defined as…”

Binding energies and hydrogen bonds effects on DNA-cisplatin interactions: a DFT-xTB study

“…This is a process called aquatation or activation. The reason these complexes act as antitumor agents is the result of the formation of cytotoxic lesions in platinum DNA adducts, but there is still debate over how these drugs work [12], [7], [13]. The accepted thesis that the anti-tumor activity of cisplatin originates from the interaction with N atoms of the purine base (Guanine or Adenine).…”