Russian Journal of General Chemistry最新文献

The reaction of (2E)-3-aryl-2-(4-aryl-1,3-thiazol-2-yl)acrylonitriles with an excess of nitric acid in AcOH proceeds regioselectively to afford previously unknown (2E)-3-aryl-2-(4-aryl-5-nitro-1,3-thiazol-2-yl)acrylonitriles in 82–96% yields.

A novel series of 23-hydroxybetulinic acid derivatives were designed and synthesized, in which some compounds displayed good antibacterial activity with MIC values of 4–16 μg/mL against gram-positive bacteria and moderate inhibitory activity (16–32 μg/mL) against gram-negative bacteria. 23-O-6-Aminohexyl[3,2-b]pyrazine oleanan-28,19β-lactone demonstrated the most potent antibacterial activity against S. aureus, B. subtilis, E. coli, and P. aeruginosa with MICs ranging from 4 to 16 μg/mL. Additional testing against drug-resistant bacteria (MRSA and K. pneumonia) showed 23-O-6-aminohexyl[3,2-b]pyrazine oleanan-28,19β-lactone also possessed good antibacterial activity (4–32 μg/mL). In addition, this lactone interacted effectively with cell membranes, posed negligible cytotoxicity to mammalian cells, and rapidly curbed the growth of MRSA and E. coli, while not significantly enhancing bacterial resistance. The subsequent assay of bactericidal time-kill kinetics revealed that 23-O-6-aminohexyl[3,2-b]pyrazine oleanan-28,19β-lactone showed excellent bactericidal activity against MRSA at 3MIC (> 6 log₁₀ CFU/mL reduction) after 9 h, whereas the positive control group only demonstrated inhibitory activity. Additionally, study of drug-likeness properties suggest that these molecules may have drug-likeness characteristics, potentially improving membrane absorption and bioavailability.

In this study, 5-norbornene-2,3-dicarboxylic acid has been used for the first time as crosslinker to obtain chitosan hydrogels. The formation of ionic crosslinks between chitosan and the diacid has been confirmed by means of IR spectroscopy. The obtained ionic hydrogels have been characterized by means of DSC and rheological tests in the frequency sweep mode. Shear moduli and parameters of the molecular structure of the obtained hydrogel network depending on the diacid concentration have been calculated basing on the rheological data and the generalized viscoelastic Maxwell model.

Efficient drug development holds prime importance in the present era. Computational techniques offer potential solutions for efficacious drug design. The present review attempts to summarize the essentiality of the Quantitative Structure–Activity Relationship (QSAR) of Schiff bases and thiosemicarbazones for developing potent therapeutics. It provides an overview of recent QSAR computational studies conducted to develop Schiff bases, their derivatives as medicinal agents, and their activity alteration upon substitution and structural changes. Various recent research papers, primarily from leading indexing sources and databases like SCOPUS, Web of Science, PubMed, Medline, etc., have focused on the studies reported during the last five years. Software like HYPERCHEM, MatLaB, DRAGON and RECKON are generally used for the QSAR analysis. Analysis of Schiff bases using QSAR showed that complexes with high molecular weight exhibit antibacterial activity. Computer-aided technology channelizes drug development of potential lead compounds and considerably contributes to the discovery and expansion of drugs. However, certain aspects viz., accuracy for the prediction of drug-target binding affinity, conformational changes in protein, prediction of physical properties of novel drugs and allosteric sites, differences between around thousands of molecular descriptors, limited biological response and alignment protocol of training-set and test-set ligands need further exploration.

A series of 7-azaindole-acylsulfonamide derivatives was designed, synthesized and evaluated for inhibitory activity against Mcl-1 protein through fluorescence polarization assays (FPAs). Among them, the most potent compounds showed the best inhibitory activities against Mcl-1 with the inhibitory rate of 97% at the concentration of 50 μM, which was a little more potent than the positive control WL-276 (95%).

The sulfur-doped polyimides were prepared at different temperatures by one-pot hot polymerization method. Phase analysis by SEM, XRD and FT-IR showed that the synthesized polyimides had good structure and crystallinity. The sulfur-doped polyimides were prepared at different temperatures by one-pot hot polymerization method. Phase analysis by SEM, XRD and FT-IR showed that the synthesized polyimides had good structure and crystallinity. The results of UV diffuse reflection, AC impedance, fluorescence spectrum and photocurrent test show that the polyimide synthesized at 325°C has better photoelectric performance. It has been applied to the photocatalytic benzylamine coupling experiment and has good yield and selectivity under 8.5 hours of illumination. The results of UV diffuse reflection, AC impedance, fluorescence spectrum and photocurrent test show that the polyimide synthesized at 325°C has better photoelectric performance. It has been applied to the photocatalytic benzylamine coupling experiment and has good yield and selectivity under 8.5 h of illumination.

A polyyne dendrimer (PD) was synthesized in four-steps and characterized by ¹H NMR, ¹³C NMR, MS, FT-IR, etc. Subsequently, ultraviolet visible (UV-Vis) absorption spectra and fluorescence spectra were further investigated in a series of solvents, in which obvious aggregation-induced emission (AIE) were observed. In addition, the electrochemiluminescence (ECL)properties in solid state were also investigated. Interestingly, the π-extended PD with slight distorted configuration possessed intense and stable cathodic ECL emission, which indicatedthat it has potential application in the future construction of high-performance ECL emitters.

A series of novel hybrid derivatives of spirochromanone and isoxazole/isoxazoline was synthesized by 1,3-dipolar cycloaddition of the corresponding spirochromanone alkyne/alkene with nitrile oxides, in situ generated from substituted oximes in the presence of eco-friendly oxidant (sodium hypochlorite) under mild reaction conditions. All new compounds were structurally characterized by ¹H, ¹³C NMR and HRMS techniques. All synthesized compounds were evaluated for their antimicrobial and antifungal activities.

Light-controlled release technology uses light signals to regulate drug release. It has potential applications in drug delivery, bioimaging, biosensing, and tissue engineering. In this study, we designed and synthesized light-responsive hydrogels to control the absorption and release of antibiotics. We used Fourier-transform infrared (FT-IR) spectroscopy, X-ray crystallography, scanning electron microscopy (SEM), and thermogravimetric (TGA) to investigate the physicochemical properties of the prepared hydrogel. In the ground state, the photosensitizer forms a stable complex with 7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one in the hydrogel matrix. Exposure to 365 nm UV light causes the photosensitizer to undergo photoisomerization, converting from trans to cis structure, releasing the drug into the environment. Biological studies showed that 7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one released from the hydrogel significantly reduced IL-1β and IL-6 levels in chondrocytes, demonstrating anti-inflammatory effects. This study provides a new approach for developing light-responsive hydrogels for drug delivery applications.

In this study, the usability of twelve different benzimidazole derivatives as active pharmaceutical ingredients in the treatment of multiple sclerosis was investigated. For each molecule, a docking study was carried out with the target protein using the Auto Dock Vina program, and the best docking score was obtained in molecules. Bioactivity score, physicochemical properties, lipophilicity, water solubility, pharmacokinetic properties, drug-likeness, medicinal chemistry properties, toxicity, total energy, and dipole moments values were calculated for all molecules. For the ideal molecule, pK_a, bond angles, bond lengths, highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) energy, Mulliken atomic charges, and molecular electrostatic potential (MEP) were also calculated. As a result of all these theoretical studies, it was concluded that 1,3-bis{[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl}-1,3-dihydro-2H-benzimidazol-2-one, can be considered an active ingredient in the treatment of multiple sclerosis.