Abstract
New series of Y(III), Zr(IV), Pd(II), La(III) and U(VI) complexes with moxifloxacin (MOX) and 1,10-phenanthroline (Phen) were synthesized and the chelation behaviours have been investigated. The complexes were characterized using elemental analysis, molar conductance, magnetic properties, thermal studies and various spectral techniques such as FT-IR, UV-Vis, 1H NMR and mass spectra. The kinetic and thermodynamic parameters (E*, ΔH*, ΔS* and ΔG*) were calculated using Coats-Redfern and Horowitz-Metzeger methods. The bond length and force constant, F(U=O), for the uranyl complex was calculated. The DFT calculations were carried out to understand the optimized molecular geometry for the compounds. The calculated data indicated that Pd(II) complex with smaller energy gap value (∆E = 0.136 au) is more reactive than all compounds and La(III) complex with greater energy gap (∆E = 0.192 au) is less reactive. All studied compounds are treated as soft (η = 0.068-0.096) except MOX treated as hard (η = 0.16). The HOMO of all complexes is localized on MOX (100%) without any density on the Phen (0%) except Pd(II) complex, the HOMO is localized on Phen (61%). The LUMO in U(VI) complex is localized mainly on the U(VI) ion (63%), and in the Y(III) complex is localized mainly on Phen (89%). The cytotoxic activities against MCF-7, HCT-116 and the antimicrobial activity were tested.
 
 KEY WORDS: Moxifloxacin, 1,10-Phenanthroline, Spectroscopy, Thermal analysis, DFT, Antitumor agents
 
 Bull. Chem. Soc. Ethiop. 2020, 34(2), 295-312
 DOI: https://dx.doi.org/10.4314/bcse.v34i2.8
Highlights
Fluoroquinolones are chemotherapy agents with a fluorine atom attached to the central ring system, which represent an important class of synthetic broad-spectrum antibiotics [1]
Some of these metal complexes are more successful for their antibacterial activity than free fluoroquinolones [5,6,7]
The results of FT-IR revealed that MOX chelated with metal ions as neutral bidentate through oxygen of carboxylic and pyridone groups
Summary
Fluoroquinolones are chemotherapy agents with a fluorine atom attached to the central ring system, which represent an important class of synthetic broad-spectrum antibiotics [1]. Numerous studies regarding the interaction between fluoroquinolones with metal ions have been included in the literature [2,3,4]. Moxifloxacin hydrochloride (MOX, Scheme 1A) is a member of fluoroquinolones family, with trade names Avelox, Avalox and Avelon for oral treatment and as an ophthalmic solution (eye drops) under the trade name Vigamox for the treatment of conjunctivitis and acting as large-spectrum antibiotics, have anticancer activity [8,9,10]. The literature contains few examples, studied some mixed ligand metal complexes including fluoroquinolone with 1,10-phenanthroline monohydrate (Phen, Scheme 1B) which exhibited considerable anti-proliferative activity against HL-60 (human acute myeloid leukemia) cell lines and hormone independent BT20 breast cancer cells [11,12,13]
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