Novel triphenyltin(<scp>iv</scp>) compounds with carboxylato N-functionalized 2-quinolones as promising potential anticancer drug candidates: in vitro and in vivo evaluation

Kasalović, Marijana P.; Jelača, Sanja; Milanović, Žiko; Maksimović-Ivanić, Danijela; Mijatović, Sanja; Lađarević, Jelena; Božić, Bojan; Marković, Zoran; Dunđerović, Duško; Rüffer, Tobias; Kretschmer, Robert; Kaluđerović, Goran N.; Pantelić, Nebojša Đ.

doi:10.1039/d4dt00182f

Dalton Trans.

2024

DOI: 10.1039/d4dt00182f

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Novel triphenyltin(iv) compounds with carboxylato N-functionalized 2-quinolones as promising potential anticancer drug candidates: in vitro and in vivo evaluation

Marijana P. Kasalović,

Sanja Jelača,

Žiko Milanović

et al.

Abstract: Three triphenyltin(iv) compounds with carboxylato N-functionalized 2-quinolones are reported. The compounds showed remarkable anticancer activity in lower micromolar concentrations. The most active compound exhibited a better in vivo profile than cisplatin.

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Cited by 4 publications

References 70 publications

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Synthesis, structures, and cytotoxicity insights of organotin(IV) complexes with thiazole-appended pincer ligand

Basu Baul,

Brahma,

Tamang

et al. 2024

Journal of Inorganic Biochemistry

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Synthesis, structures, and cytotoxicity insights of organotin(IV) complexes with thiazole-appended pincer ligand

Basu Baul,

Brahma,

Tamang

et al. 2024

Journal of Inorganic Biochemistry

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The Counterion (SO42− and NO3−) Effect on Crystallographic, Quantum-Chemical, Protein-, and DNA-Binding Properties of Two Novel Copper(II)–Pyridoxal-Aminoguanidine Complexes

Jevtovic,

Golubović,

Alshammari

et al. 2024

Crystals

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New Cu(II) complexes with pyridoxal-aminoguanidine (PLAG) ligands and different counterions (SO42− and NO3−) were prepared and their crystal structures were solved by the X-ray crystallography. The geometries of the obtained complexes significantly depended on the counterions, leading to the square-pyramidal structure of [Cu(PLAG)NO3H2O]NO3 (complex 1) and square-planar structure of [Cu(PLAG)H2O]SO4 (complex 2). The intermolecular interactions were examined using the Hirshfeld surface analysis. The theoretical structures of these complexes were obtained by optimization at the B3LYP/6-311++G(d,p)(H,C,N,O,S)/LanL2DZ(Cu) level of theory. The Quantum Theory of Atoms in Molecules (QTAIM) was applied to assess the strength and type of the intramolecular interactions and the overall stability of the structures. The interactions between the complexes and transport proteins (human serum albumin (HSA)) and calf thymus DNA (CT-DNA) were examined by spectrofluorometric/spectrophotometric titration and molecular docking. The binding mechanism to DNA was assessed by potassium iodide quenching experiments. The importance of counterions for binding was shown by comparing the experimental and theoretical results and the examination of binding at the molecular level.

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Molecular Aspects of the Interactions between Selected Benzodiazepines and Common Adulterants/Diluents: Forensic Application of Theoretical Chemistry Methods

Džodić,

Marković,

Milenković

et al. 2024

IJMS

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Benzodiazepines are frequently encountered in crime scenes, often mixed with adulterants and diluents, complicating their analysis. This study investigates the interactions between two benzodiazepines, lorazepam (LOR) and alprazolam (ALP), with common adulterants/diluents (paracetamol, caffeine, glucose, and lactose) using infrared (IR) spectroscopy and quantum chemical methods. The crystallographic structures of LOR and ALP were optimized using several functionals (B3LYP, B3LYP-D3BJ, B3PW91, CAM-B3LYP, M05-2X, and M06-2X) combined with the 6-311++G(d,p) basis set. M05-2X was the most accurate when comparing experimental and theoretical bond lengths and angles. Vibrational and 13C NMR spectra were calculated to validate the functional’s applicability. The differences between LOR’s experimental and theoretical IR spectra were attributed to intramolecular interactions between LOR monomers, examined through density functional theory (DFT) optimization and quantum theory of atoms in molecules (QTAIM) analysis. Molecular dynamics simulations modeled benzodiazepine–adulterant/diluent systems, predicting the most stable structures, which were further analyzed using QTAIM. The strongest interactions and their effects on IR spectra were identified. Comparisons between experimental and theoretical spectra confirmed spectral changes due to interactions. This study demonstrates the potential of quantum chemical methods in analyzing complex mixtures, elucidating spectral changes, and assessing the structural stability of benzodiazepines in forensic samples.

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Novel triphenyltin(iv) compounds with carboxylato N-functionalized 2-quinolones as promising potential anticancer drug candidates: in vitro and in vivo evaluation

Abstract: Three triphenyltin(iv) compounds with carboxylato N-functionalized 2-quinolones are reported. The compounds showed remarkable anticancer activity in lower micromolar concentrations. The most active compound exhibited a better in vivo profile than cisplatin.

Cited by 4 publications

References 70 publications

Synthesis, structures, and cytotoxicity insights of organotin(IV) complexes with thiazole-appended pincer ligand

Synthesis, structures, and cytotoxicity insights of organotin(IV) complexes with thiazole-appended pincer ligand

The Counterion (SO42− and NO3−) Effect on Crystallographic, Quantum-Chemical, Protein-, and DNA-Binding Properties of Two Novel Copper(II)–Pyridoxal-Aminoguanidine Complexes

Molecular Aspects of the Interactions between Selected Benzodiazepines and Common Adulterants/Diluents: Forensic Application of Theoretical Chemistry Methods

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