Analele Universitatii Ovidius Constanta. Seria Chimie

Abstract The capacity of the F3K Digitalis purpurea cell line to biotransform hydroquinone into β-arbutin was tested. The experimental protocol involved the sequential addition of hydroquinone to the culture medium, and testing different precursor (4-, 5-, and 6 mM) and sucrose concentrations (3 % and 6 %) under different lighting conditions (16-hour photoperiod and darkness). The biotransformation process was positively influenced by the photoperiod regime and increased sucrose concentration. The highest arbutin production (1 g/L) has been achieved in cell suspensions fed with 6% sucrose and 5 mM hydroquinone, under 16 hours daily light exposure.

Carmen Elena Pop

Ana-Maria Vlase

Ana Coste

Constantin Deliu

Mircea Tămaş

Tibor Casian

Laurian Vlase

Analele Universităţii "Ovidius" Constanţa. Seria Chimie/"Ovidius" University Annals of Chemistry

Bioconversion of hydroquinone to arbutin in F3K Digitalis purpurea cell line

F3K 紫花洋地黄细胞系中对苯二酚向熊果苷的生物转化

Abstract Red mud, a voluminous industrial waste produced during the Bayer process in the alumina industry, has numerous application possibilities across various fields. Its potential uses are diverse, ranging from the construction industry and metallurgy to environmental protection and agriculture. There are three main aspects of red mud utilization. First, it can be analyzed from the point of view of resource utilization, where it could be applied as raw material mostly in the construction industry. Second, it could be a useful source of valuable components, such as rare earths and metals, especially iron. Third, red mud could have different environmental applications, in wastewater treatment, soil remediation, etc.The paper summarizes current data on red mud utilization methods and aims to emphasize the potential for red mud utilization in various fields.

Jelena Vuković

Mitar Perušić

Srećko Stopić

Duško Kostić

Slavko Smiljanić

Radislav Filipović

Vladimir Damjanović

A review of the red mud utilization possibilities

赤泥利用可能性综述

Abstract This study aimed to investigate the kinetic modelling of drug-drug interactions between olanzapine and the antibiotics fluoroquinolone, ciprofloxacin and norfloxacin, using a three-step compartmental modelling approach. Olanzapine is metabolized mainly by CYP1A2, which is inhibited by both antibiotics, affecting its disposition in the body. The proposed models evaluated the absorption, distribution, metabolism, and excretion of olanzapine and its main metabolite, N-desmethyl olanzapine, given alone and during co-administration with antibiotics. Ciprofloxacin completely inhibited presystemic metabolism, resulting in a 2.2-fold increase in olanzapine exposure, whereas norfloxacin reduced but did not eliminate this metabolic pathway, resulting in a 3.2-fold increase in olanzapine exposure. Both antibiotics also reduced the clearance of N-desmethyl olanzapine, leading to increased concentrations of the metabolite. These results provide insight into the kinetic interactions between olanzapine and fluoroquinolones, helping to optimize dosing strategies when co-administration is nedeed.

Ana-Elena Chirali

Iulia Maria Ciocotişan

Dana Maria Muntean

Kinetic modelling of olanzapine interactions with ciprofloxacin and norfloxacin in adult male Wistar rats: unraveling the mechanism of drug-drug interaction

成年雄性Wistar大鼠中奥氮平与环丙沙星和诺氟沙星相互作用的动态建模：揭示药物-药物相互作用的机制

Abstract Four aryl ketoximes were synthesized by potassium hydrogen phthalate catalyzed condensation of aryl ketones and hydroxylamine hydrochloride under conventional heating in ethanol medium. The yield of this condensation is more than 75%. The synthesized ketoximes were characterized by their physico-chemical constants and spectroscopic data. The ligand-protein interactions ability of these ketoximes were studied by molecular docking method. The antimicrobial activities of these ketoximes were assess by Bauer-Kirby disc diffusion methods against selective microorganisms.

Paneerselvam Gayathri

Jaganathan Divya

Inbasekaran Muthuvel

Perumal Mayavel

Veeramalai Usha

Selladurai Nalini

Venkatesan Manikandan

Rajasekaran Sundararajan

Ranganathan Arulkumaran

Saravanan Palanivel Sakthinathan

Ganesamoorthy Thirunarayanan

Bio-potent aryl ketoximes

生物活性芳基酮肟

Abstract Omega-3 fatty acids, including alpha-linolenic acid (ALA), eicosapentaenoic acid (EPA), and docosahexaenoic acid (DHA), are recognized for their crucial roles in human health, particularly cardiovascular and cognitive function. In this study, we employed computational methodologies, leveraging the SwissADME platform and ADMETLab 3.0, to predict and cross-validate the physicochemical properties and drug-likeness of these essential fatty acids. SwissADME predictions indicated molecular weights of 278.43 g/mol for ALA, 302.45 g/mol for EPA, and 328.49 g/mol for DHA, with consensus Log P o/w values of 5.09, 5.50, and 5.72 respectively, and varying degrees of water solubility. However, predictions from ADMETLab 3.0 were almost similar: ALA with a molecular weight of 278.22 g/mol, EPA at 302.22 g/mol, and DHA at 328.24 g/mol. Significant discrepancies were observed in lipophilicity, with ADMETLab 3.0 predicting Log P o/w values of 6.461 for ALA, 6.477 for EPA, and 7.006 for DHA, higher than those from SwissADME. Additionally, water solubility predictions from ADMETLab 3.0 showed ALA with a Log S of −5.034, EPA at −4.4, and DHA at −4.638, which differed from SwissADME’s estimates. These differences reflect variations in computational approaches and algorithms. Comparison with literature data revealed general alignment in physicochemical properties, such as water solubility and lipophilicity. Furthermore, assessment of drug-likeness according to Lipinski’s rule demonstrated compliance for all three fatty acids, albeit with variations in other criteria such as Ghose, Veber, Egan, and Muegge rules. These findings underscore the reliability and applicability of computational approaches in elucidating the physicochemical properties and drug-likeness of omega-3 fatty acids, offering valuable insights for pharmaceutical research and therapeutic applications.

Yordanka Staneva

Ivelin Iliev

Svetlana Georgieva

Albena Merdjanova

In silico prediction of physicochemical properties and drug-likeness of omega-3 fatty acids

omega-3脂肪酸的理化性质和类药性计算机预测

短名
Journal Impact	1.10
国际分区	CHEMISTRY, MULTIDISCIPLINARY(Q4)

涉及主题	化学生物有机化学生物化学物理材料科学工程类医学生态学量子力学地质学复合材料冶金植物色谱法环境科学食品科学遗传学环境化学热力学物理化学
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Analele Universitatii Ovidius Constanta. Seria Chimie

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Bioconversion of hydroquinone to arbutin in F3K Digitalis purpurea cell line

A review of the red mud utilization possibilities

Kinetic modelling of olanzapine interactions with ciprofloxacin and norfloxacin in adult male Wistar rats: unraveling the mechanism of drug-drug interaction

Bio-potent aryl ketoximes

In silico prediction of physicochemical properties and drug-likeness of omega-3 fatty acids

Bioconversion of hydroquinone to arbutin in F3K Digitalis purpurea cell line

A review of the red mud utilization possibilities

Kinetic modelling of olanzapine interactions with ciprofloxacin and norfloxacin in adult male Wistar rats: unraveling the mechanism of drug-drug interaction

Bio-potent aryl ketoximes

In silico prediction of physicochemical properties and drug-likeness of omega-3 fatty acids