French-Ukrainian Journal of Chemistry
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Differential Pulse Cathodic Voltammetric Determination of Metopimazine in Dosage Forms through Treatment with Oxone
Get PDFA simple, rapid and sensitive voltammetric method for determining Metopimazine (MPZ) as its sulfoxide was developed. The Metopimazine sulfoxide derivative (MPZO) is formed quickly and quantitatively at room temperature by adding potassium caroate solution. Well-defined cathodic waves were obtained for MPZO in 0.02 mol/L HCl using the differential-pulse mode at the hanging mercury drop electrode (HMDE). It is shown that the limiting stage of the MPZO reduction process is the adsorption of MPZO on the electrode surface. Factors affecting the peak current were studied and optimised. The current–concentration relationship was linear over the 0.4-2.7 µg/mL ranges for MPZ, respectively. The technique has been developed and the possibility of quantitative determination of Metopimazine in Vogalene Lyoc 7.5 mg tablets by an indirect voltammetric method using potassium caroate (Oxone) as an oxidising agent has been shown. RSD was ≤1.63% (δ = –0.40…..–1.07%), where δ = (-µ)·100%/µ, and µ is the average value of the quantitative determination by reference spectrophotometric method. According to the data of the linear part of the calibration graph, the limit of detection (LOD) and the limit of quantification (LOQ) were calculated, which are 0.1 μg/mL and 0.4 μg/mL, respectively. The method is specific for an intact drug in the presence of oxidative and photochemical decomposition products and excipients
In-Silico Analysis of Coumarins for Neurodegenerative, Infectious and Metabolic Diseases
No full textThe present study evaluated the binding affinities for a set of coumarins against five key targets which are relevant for anti-Alzheimer's, antimicrobial, anticancer, anti-tuberculosis, and anti-adipogenic activities. Docking score analysis revealed that 3''-Demethylchartreusin 71, Chartreusin 69 and Fabiatrin 70 and coumarin pyrazole hybrid 298 exhibited significant binding interactions with the targets, making them as the promising lead compounds. Key stabilizing interactions, including H-bonding, π-π, π-σ, π-anion/cation, and π-alkyl interactions, have been analyzed. In-silico drug-likeness analysis was performed on all the coumarins, and another nine coumarins were identified as promising molecules with acceptable pharmacokinetic properties, making them potential multitargeted drug candidates
Transport Factor Comparative Study of Some Heavy Metals Transfer from Soils to Fruits in Turabah Farms
Get PDFThe study aimed to determine transfer factor (TF) of heavy metals (HM) from soils to fruits in Wadi Turabah agricultural farms. This is in order to obtain information on retention mechanisms of metals in soils and their ability to transfer from soils to fruits. Obtained results (HM contents) were compared to those reported by FAO/WHO acceptable limits. Also TF values were compared to those stated in recent related studies. Fruit samples include cantaloupe melon, grape, pomegranate, mandarin and lemon. While, soil samples include surface soil (SS) and depth soil (DS) collected from same study area. Samples were digested by microwave-assisted oven and HM (Mn, Pb Cr, As and Cd) were determined using inductively coupled plasma-optical emission spectroscopy (ICP-OES). As and Pb were detected in almost all soil and fruit samples, while Cr and Mn were detected in all soil samples and not detected in other fruit samples except grape. Elevated levels of As and Mn were measured in fruit and soil samples respectively. However, general concentrations of studied HM in fruits from Turabah farms were lower than maximum permissible concentrations in fruits given by FAO/WHO. Results confirm that fruits in the study areas were safe and can be used for human consumptions. Statistical test revealed that concentration of HM were statistically significant differences (P ˂ 0.05) in examined samples. Results indicate that Pb (TF = 0.774) transfer more than As (TF = 0.539), Cr (TF = 0.003), Mn and Cd (TF < 0.002). This indicates that general ability of HM to transfer from soils to fruits were low (TF < 1). Statistical tests (P ˂ 0.05) indicate that obtained TF values were not differ significantly between different plant species grown in same location
Determination of Сarbohydrates in the Herb Erigeron Annuus
Get PDFThe purpose of the article is to provide an assessment of phytochemical studies of the monosaccharide composition of an annual grass of the asteraceae family, common in Ukraine. The wide geographical distribution of Erigeron species from North America to Japan makes it promising to study the depth of the monosaccharide composition of Erigeron annuus. The carbohydrates were separated by gas chromatography-mass spectrometry after conversion into volatile aldononitrile acetate derivatives. The monomeric composition of polysaccharides was studied after their hydrolysis to form monosaccharides and polyalcohols. Quantitative analyses of free carbohydrates showed that the predominant sugars were fructose, glucose and disaccharide – sucrose. The chromatographic study revealed a number of polyalcohols that are important for the treatment and prevention of progression of diabetes mellitus and its complications, namely, mannitol
Repeated Use of Purified Wastewater in the Dyeing of Polyether Fabrics with Dispersed Dyes
Get PDFThe article presents the results of reuse of treated wastewater from the dyeing and finishing production in the technology of fabric dyeing. The wastewater is purified by adsorption using natural zeolite, followed by coagulation and flocculation. The purified water is reused in the process of dyeing polyester fabric with dispersed dyes of Dark Blue Z, Red 2C, Yellow Stable 2K. They ensure the intensity of fabric coloring at 95-99.9% compared to 100%. The stability of the obtained color is at the level of 2-4 points according to the greyscale. The double treatment of the same wastewater makes it easy to dye Polyether fabric with dispersed Dark Blue Z dye
Structural Characterization and Antibacterial, Antifungal, Antioxidant Activity of ONO Salicyl Based Schiff Base and its VO(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Pd(II) and Hg(II) Complexes
Get PDFAn ONO tridentate Schiff base derived from 3,5-dichlorosalicylaldehyde and 2-amino-4-methylphenol (H2L) and its complexes with VO(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Pd(II) and Hg(II) were synthesized and characterized. The structures of the complexes were confirmed by means of elemental analysis, molar conductivity, magnetic moment, UV-visible, fluorescence, FT-IR and NMR spectroscopy. The M:L ratio is 1:2 in Fe(III) and Co(II) complexes whereas 1:1 in the other complexes. It was observed that the Pd(II) complex is 1:1 ionic while the others are non-ionic according to molar conductivity measurements. H2L showed weak fluorescence at different wavelengths in neutral, acidic and basic areas and in the form of some metal complexes. The VO(II) and Cu(II) complexes increased the fluorescence effect compared to the ligand, while the Fe(III) complex completely quenched it. Antibacterial and antifungal activity of the compounds was evaluated against six bacteria and three fungi. In general, all the compounds showed moderate antimicrobial activity. It was observed that some of the complexes exhibited higher activity towards S. epidermidis and S. aureus compared to the ligand. Antioxidant activity of the compounds was investigated in terms of 1,1-diphenyl-2-picrylhydrazyl radical (DPPH•) scavenging and Cupric Reducing Antioxidant Capacity (CUPRAC) methods. It was found that Zn(II) and Pd(II) complexes showed higher antioxidant activity than the ligand and the other complexes
Machine Learning Applications in Drug Discovery
No full textIntegrating machine learning (ML) into drug discovery has ushered in a new era of innovation, dramatically enhancing the efficiency and precision of identifying and developing new therapeutics. This review provides a comprehensive analysis of the current applications of machine learning in drug discovery, focusing on its transformative impact across various stages of the drug development pipeline. We delve into key ML methodologies, including supervised and unsupervised learning, neural networks, and reinforcement learning, examining their underlying principles and specific contributions to drug discovery processes. By exploring case studies and recent advancements, this review illustrates how ML algorithms have been utilized to predict drug-target interactions, optimize drug design, and streamline clinical trial processes. Furthermore, we discuss the challenges and limitations of implementing ML techniques in this field and highlight emerging trends and future directions. This review aims to offer researchers a thorough understanding of ML's potential to revolutionize drug discovery and equip them with the insights needed to leverage these technologies effectively
Kinetic and Thermodynamic Control of the Reaction of 5-Amino-11H-isoindolo[2,1-a]quinazoline with N-phenylmaleimide
Get PDFThe reaction of 5-amino-11H-isoindolo[2,1-a]quinazolIne with maleimides is not a typical Michael reaction but proceeds through a more complex rearrangement. Depending on the type of control, the reaction with N-phenylmaleimide can follow two different pathways. Probable reaction mechanisms have been proposed for both kinetic and thermodynamic control. The structures of the reaction products were confirmed, in particular, by COSY and HMBC methods
Mannich Bases of Chromones Containing a 2,3-fused Heterocyclic Ring
Get PDFAminomethylation of chromones сontaining a 2,3-fused heterocyclic ring, such as indolizine, pyrroloquinoline and pyrrolothiazole, namely 9-hydroxy-6/8-alkyl-12H-chromeno[3,2-a]indolizin-12-ones, 10-(alk)oxy-9-R-7Н-сhromeno[3',2':3,4]pyrrolo[1,2-а]quinolin-7-ones and 9-alkyl-8-hydroxy-3-methyl-5-R-11H-chromeno[3’,2’:3,4]pyrrolo[2,1-b][1,3]thiazol-11-ones with bisdialkylaminomethanes was studied. The α-position of the pyrrole ring and the ortho-positions to the hydroxyl group in the benzene ring in the above mentioned systems are active sites and the Mannich reaction can occur at these three positions as shown for 10-hydroxy-7Н-сhromeno[3',2':3,4]pyrrolo[1,2-а]quinolin-7-one yielding 9,11,13-tri(dialkylaminomethyl) derivative. Using the strategy of introducing substituents into the active centers, as well as replacing the OH group with OAlk, it was possible to obtain mono- and diaminomethylation products. The above systems substituted at positions 6 or 8 of the chromone ring afforded di(dialkylaminomethyl) products, respectively 5,7-di(dimethylaminomethyl)-9-alkyl-8-hydroxy-3-methyl-11H-chromeno[3’,2’:3,4]pyrrolo[2,1-b][1,3]thiazol-11-ones, 6,8- or 6,10-di(dimethylaminomethyl)-8/10-alkyl-9-hydroxy-12H-chromeno[3,2-a]indolizin-12-ones and 11,13-di(dialkylaminomethyl)-9-ethyl-10-hydroxy-7Н-сhromeno[3',2':3,4]pyrrolo[1,2-а]quinolin-7-ones. Monoaminomethylated products were prepared for 5-acyl-8-hydroxy-3-methyl-11H-chromeno[3’,2’:3,4]pyrrolo[2,1-b][1,3]thiazol-11-ones. Aminomethylation of 10-alkoxy-7Н-сhromeno[3',2':3,4]pyrrolo[1,2-а]quinolin-7-ones occurred only at the pyrrole ring, giving 10-alkoxy-13-dimethylaminomethyl derivatives. Taking into account that derivatives of 7Н-сhromeno[3',2':3,4]pyrrolo[1,2-а]quinolin-7-one system exhibited hypoglicemic and anabolic activities, the obtained Mannich bases may be of interest as potential biologically active substances
The study of the Kinetics of D-mannose Oxidation with Imidazolium Fluorochromate in Aqueous Acetic Acid Medium through Spectrophotometric Analysis
Get PDFKinetics and mechanism of oxidation of D-mannose with imidazolium fluorochromate (IFC) have been studied in a 1:1 volume ratio aqueous acetic acid medium. The oxidation study revealed first-order relationship on concentration of D-mannose, imidazolium fluorochromate, and perchloric acid. The reaction rates were enhanced by perchloric acid, and maintained a 1:1 stoichiometric ratio. A constant ionic strength was ensured across the reaction mixture. Further, variations in ionic strength values reflected shallow effect on oxidation rates. The reaction rates decreased in the solvent of high dielectric constant (δ). The observed results were in agreement with the Amis and Kirkwood plots, namely (logK1 vs (1/δ) and (δ-1/2δ+1)). Polymerization of acrylonitrile was absent in the reaction. The oxidation rates were recorded across the range of temperatures, and several thermodynamic variables were computed. The products of the oxidation reaction were arabinose and formic acid. A reaction mechanism supported by observed findings was suggested