Preparation, spectroscopic, characterizations and biological studies of new charge transfer complexes formed between fluconazole drug with various acceptors

Ali, Mahmoud; Ali, Maha A.; Gaballa, Akmal S.; El-Korashy, Sabry A.; Teleb, Said M.

doi:10.1016/j.bioorg.2021.105190

Cited by 3 publications

(2 citation statements)

References 46 publications

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“…Table S1 lists some selected bond lengths and angles of this structure. These bond lengths and angles are in good agreement with those observed in similar compounds based on fluconazole cation and hexachlorostannate (IV) [ 23 , 26 , 27 , 28 , 29 ]. The (H2Fluconazole) 2+ cations interact with [SnCl 6 ] 2− anions and the water molecules through strong intermolecular O-H···O (cyan dashed lines), N-H···O (orange dashed lines) and N-H···Cl (purple dashed lines) hydrogen bonds as shown in Figure 2 a ( Table 2 ).…”

Section: Resultssupporting

confidence: 88%

New Organic–Inorganic Salt Based on Fluconazole Drug: TD-DFT Benchmark and Computational Insights into Halogen Substitution

Bechaieb

Alshammari

Lemine

et al. 2022

IJMS

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In this study, we report the synthesis of a new organic–inorganic molecular salt of the clinically used antifungal drug fluconazole, (H2Fluconazole).SnCl6.2H2O. By detailed investigation and analysis of its structural properties, we show that the structure represents a 0D structure built of alternating organic and inorganic zig-zag layers along the crystallographic c-axis and the primary supramolecular synthons in this salt are hydrogen bonding, F···π and halogen bonding interactions. Magnetic measurements reveal the co-existence of weak ferromagnetic behavior at low magnetic field and large diamagnetic contributions, indicating that the synthesized material behaves mainly as a diamagnetic material, with very low magnetic susceptibility and with a band gap energy of 3.6 eV, and the salt is suitable for semiconducting applications. Extensive theoretical study is performed to explain the acceptor donor reactivity of this compound and to predict the Cl-substitution effect by F, Br and I. The energy gap, frontier molecular orbitals (FMOs) and the different chemical reactivity descriptors were evaluated at a high theoretical level. Calculations show that Cl substitution by Br and I generates compounds with more important antioxidant ability and the intramolecular charge transfer linked to the inorganic anion.

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Section: Resultssupporting

confidence: 88%

New Organic–Inorganic Salt Based on Fluconazole Drug: TD-DFT Benchmark and Computational Insights into Halogen Substitution

Bechaieb

Alshammari

Lemine

et al. 2022

IJMS

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show abstract

“…Charge migration facilitates the establishment of a linkage between the two molecules, resulting in modifications of the spectral bands of either the donor or the acceptor [39][40][41]. The significance of charge transfer complexes lies in their wide-ranging utility across multiple domains, including solar energy storage, antimicrobial investigations [36,42], photocatalysis, and microemulsion systems [43][44][45].…”

Section: Introductionmentioning

confidence: 99%

Development of Visible Spectrophotometric Methods for the Determination of Tricyclic Antidepressants Based on Formation of Molecular Complexes with p-Benzoquinones

Ciuca,

Racovita

2023

IJMS

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Tricyclic antidepressants are commonly employed in the management of major depressive disorders. The present work describes two visible (VIS) spectrophotometric techniques that utilize the formation of charge transfer complexes between four antidepressant compounds, namely, amitriptyline hydrochloride (AMI), imipramine hydrochloride (IMI), clomipramine hydrochloride (CLO), and trimipramine maleate (TRI) acting as electron donors and two p-benzoquinones, namely, p-chloranilic acid (pCA) and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ), serving as electron acceptors. The stoichiometry of the compounds produced exhibited a consistent 1:1 ratio in all instances, as established by Job’s method. Molar absorptivities, equilibrium association constants, and several other spectroscopic properties were determined for all complexes. The developed spectrophotometric techniques were validated intra-laboratory and successfully applied for quantitative assessment of the four antidepressant active ingredients in several commercial pharmaceutical formulations. The methods are relatively simple, fast, and use readily available laboratory instrumentation, making them easily applicable by most quality control laboratories worldwide.

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Design, spectroscopic, structural characterization, and biological studies for new complexes via charge transfer interaction of ciprofloxacin drug with π acceptors

Ali

Gouda

Alshammari

et al. 2022

Journal of Molecular Liquids

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Preparation, spectroscopic, characterizations and biological studies of new charge transfer complexes formed between fluconazole drug with various acceptors

Cited by 3 publications

References 46 publications

New Organic–Inorganic Salt Based on Fluconazole Drug: TD-DFT Benchmark and Computational Insights into Halogen Substitution

New Organic–Inorganic Salt Based on Fluconazole Drug: TD-DFT Benchmark and Computational Insights into Halogen Substitution

Development of Visible Spectrophotometric Methods for the Determination of Tricyclic Antidepressants Based on Formation of Molecular Complexes with p-Benzoquinones

Design, spectroscopic, structural characterization, and biological studies for new complexes via charge transfer interaction of ciprofloxacin drug with π acceptors

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