Potentiometric, thermodynamics and coordination properties for binary and mixed ligand complexes of copper(II) with cephradine antibiotic and some N- and O-bound amino acids (α-alanine and β-alanine)

Abdelkarim, Abeer T.; Mahmoud, Walaa H.; El‐Sherif, Ahmed A.

doi:10.1016/j.molliq.2021.115334

Cited by 6 publications

(2 citation statements)

References 58 publications

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“…TSC1, which offered the lowest HOMO energy among the synthesized TSCs, exhibited the highest biological activity among the synthesized compounds. e data showed an inverse relationship between the dipole moment and lipophilicity, indicating that as the dipole moment decreased, the lipophilic nature of the compound increased, which powerfully favored its penetration via a lipid layer of microorganisms [72,73], thereby violently destroying them. As shown in Table 2, the lipophilicity of TSC1 was higher than those of the other TSCN compounds, which sequentially deactivated the enzymes responsible for the respiration process of the investigated microbes more than the other compounds did, and accordingly increased its cellular uptake by bacterial cells.…”

Section: Molecular Modeling and Biological Activitymentioning

confidence: 99%

Synthesis, Characterization, X-Ray Single-Crystal Structure, Potentiometric Measurements, Molecular Modeling, and Bioactivity Screening of Some Thiosemicarbazones

El-Sisi

Ali

Ramdan

et al. 2022

Journal of Chemistry

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A series of thiosemicarbazone (TSCN) compounds including ((E)-2-((E)-1-(2-(p-tolyl)hydrazono)propan-2-ylidene)hydrazine-1-carbothioamide (TSC1), (E)-N-ethyl-2-((E)-1-(2-(p-tolyl)hydrazono)propan-2-ylidene)hydrazine-1-carbothioamide (TSC2), and (E)-N-phenyl-2-((E)-1-(2-(p-tolyl)hydrazono)propan-2-ylidene)hydrazine-1-carbothioamide) (TSC3) were synthesized and fully characterized by diverse spectroscopies, such as X-ray single-crystal, infrared, mass, proton nuclear magnetic resonance, and ultraviolet-visible. Potentiometric measurements, molecular modeling, and biological and antitumor activity screening were studied. The thermodynamics and protonation constants of TSC1 as a representative of the synthesized TSCs were calculated and discussed. The solution speciation of different species was studied with pH. The molecular parameters of the optimized structures were calculated and discussed. The X-ray single crystals of TSC2 and TSC3 were established. Considering the antimicrobial activities and correlating structure-activity relationship of the synthesized compounds, the TSC1 molecule was considered a promising candidate as an antifungal agent against Candida albicans. Thus, it would be extremely helpful in the field of medicinal chemistry, particularly as an antimicrobial agent. The results are of significance to the chemistry of antimicrobial agents.

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Section: Molecular Modeling and Biological Activitymentioning

confidence: 99%

Synthesis, Characterization, X-Ray Single-Crystal Structure, Potentiometric Measurements, Molecular Modeling, and Bioactivity Screening of Some Thiosemicarbazones

El-Sisi

Ali

Ramdan

et al. 2022

Journal of Chemistry

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View full text Add to dashboard Cite

show abstract

“…Nonaqueous media and water -solvent mixtures are recommended because of express better model for in vivo reactions [8]. Generally, only water and methanol, ethanol, dioxane, acetonitrile and tetrahydrofuran-water mixtures have examined [2,5,8,10,13,17,18]. We intend to contribute to the literature with an acetonitrile-water mixture that has been underutilized.…”

Section: L-alanine β-Alaninementioning

confidence: 99%

Temperature dependence studies and microscopic protonation constants of L-alanine and β-alanine in acetonitrile – water mixtures

Erensoy

Alkaya

Seyhan

2022

Ovidius University Annals of Chemistry

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L-alanine and β-alanine are important biological molecules and have zwitterion structure. In this study, L- alanine and β-alanine’s microscopic protonation constants and thermodynamic parameters (enthalpy, entropy, and free energy changes) for the proton–ligand systems of L-alanine methyl ester, β-alanine and β-alanine methyl ester have been determined at 5; 20; 35 °C, in ACN-water (25% ACN and 50% ACN (v/v)) mixtures at constant ionic strength of 0.1000 mol L–1 NaClO4 by potentiometric method. The results shown that, L-alanine and β-alanine’s microscopic protonation constants generally tend to decrease with temperature rise and their protonation reactions in ACN-water mixtures generally favor enthalpy-driven.

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Structure, mechanism, and toxicity in antibiotics metal complexation: Recent advances and perspectives

Wang

Xiong

et al. 2022

Science of The Total Environment

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Potentiometric, thermodynamics and coordination properties for binary and mixed ligand complexes of copper(II) with cephradine antibiotic and some N- and O-bound amino acids (α-alanine and β-alanine)

Cited by 6 publications

References 58 publications

Synthesis, Characterization, X-Ray Single-Crystal Structure, Potentiometric Measurements, Molecular Modeling, and Bioactivity Screening of Some Thiosemicarbazones

Synthesis, Characterization, X-Ray Single-Crystal Structure, Potentiometric Measurements, Molecular Modeling, and Bioactivity Screening of Some Thiosemicarbazones

Temperature dependence studies and microscopic protonation constants of L-alanine and β-alanine in acetonitrile – water mixtures

Structure, mechanism, and toxicity in antibiotics metal complexation: Recent advances and perspectives

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