?
Simplistic perylene-related compounds as inhibitors of tick-borne encephalitis virus reproduction
Bioorganic and Medicinal Chemistry Letters. 2020. Vol. 30. No. 10. Article 127100.
Slesarchuk N., Khvatov E., Chistov A., Proskurin G., Nikitin T., Lazarevich A., Ulanovskaya A., Ulashchik E., Orlov A., Jegorov A., Ustinov A., Tyurin Anton P., Shmanai V., Ishmukhametov A., Korshun V. A., Osolodkin D., Kozlovskaya L., Aralov A.
Rigid amphipathic fusion inhibitors are potent broad-spectrum antivirals based on the perylene scaffold, usually decorated with a hydrophylic group linked via ethynyl or triazole. We have sequentially simplified these structures by removing sugar moiety, then converting uridine to aniline, then moving to perylenylthiophenecarboxilic acids and to perylenylcarboxylic acid. All these polyaromatic compounds, as well as antibiotic heliomycin, still showed pronounced activity against tick-borne encephalitis virus (TBEV) with limited toxicity in porcine embryo kidney (PEK) cell line. 5-(Perylen-3-yl)-2-thiophenecarboxylic acid (5a) showed the highest antiviral activity with 50% effective concentration of approx. 1.6 nM.
Novikov A., Polyhedron 2026 Vol. 301 Article 118454
New dichloro-chlorobismuthate supramolecular hybrid, (Me3NH)2{[BiCl5](Cl2)}, has been prepared and characterized by X-ray diffractometry as well as Raman spectroscopy. The self-assembly of 2D dihalogen-halometalate architecture succeeds via Cl⋯Cl halogen bonds (3.066 and 3.543 Å). These features were assessed with DFT calculations and Interaction region indicator analysis. ...
Added: October 23, 2026
Maltseva D., Tonevitsky A., Frontiers in Molecular Biosciences 2026 Vol. 13 P. 1–28
MicroRNA (miRNA) genes are frequently located in close proximity within the genome, forming so-called clusters. These clusters are transcribed as polycistronic units, suggesting coordinated transcriptional regulation of the miRNAs they contain. However, individual mature miRNAs from the same cluster often accumulate at varying levels and exhibit distinct tissue-specific expression patterns, indicating the presence of regulatory ...
Added: October 23, 2026
Vasilyev A., Svirin EP, Dubynin I. et al., Cortex 2025 Vol. 189 P. 76–96
Added: October 22, 2026
Karina V. Klycheva, Mariia O. Silkina, Dmitry M. Hushpulian et al., Biochemistry. Biokhimiia 2026 Vol. 91 P. 1842–1858
Involvement of the transcription factor Bach1 in various scenarios of cellular regulation is reviewed herein. To date, the most extensively studied role of Bach1 is that of a repressor of the antioxidant genetic program initiated by the Nrf2 factor. This program counteracts oxidative stress, which triggers both ferroptosis and the intrinsic apoptotic pathway. Bach1 functions unrelated ...
Added: October 22, 2026
Svirin E., Бердышев Д. А., Шишкин С. Л., Вестник Российского государственного медицинского университета 2026 № 3 С. 42–50
Quasi-movements (QMs), which are movement attempts minimized to the point of movement extinction, evoke EEG patterns similar to those of real movement. QMs can model attempted movement in healthy subjects and are therefore of interest as an alternative to motor imagery (MI) in rehabilitation brain–computer interfaces (BCIs), in which the attempted movement of the paralyzed ...
Added: October 22, 2026
Sitdikova K., Tsoy A., Chaprov K. et al., Journal of Neuropathology and Experimental Neurology 2026 Article nlag078
Understanding the earliest pathological changes in Alzheimer disease (AD) is critical for improving early intervention strategies. However, the relationship between amyloid plaque characteristics and early behavioral and molecular alterations remains unclear. We used 6-month-old female APPswe/PS1dE9 mice, a model of early amyloid-dominant pathology, to assess cognition and emotionality across a battery of behavioral tests. Amyloid ...
Added: October 22, 2026
Effects of Wheat Malt Extract on Molecular and Behavioral Markers in Aged APP/PS1 and Wild-Type Mice
Kassenova A., Svirin E., Sitdikova K. et al., International Journal of Molecular Sciences 2026 Vol. 27 No. 11 Article 4994
Added: October 22, 2026
Cespuglio R., Schmitt-Böhrer A., Deykin A. et al., Metabolites 2026 Vol. 16 No. 2 Article 117
Added: October 22, 2026
Budkov Y., Kalikin N., Journal of Chemical Physics 2026 Vol. 165 No. 16 Article 164108
We derive the local pressure tensor generated by the original Rosenfeld fundamental measure theory (FMT) for hard-sphere fluids from an arbitrary infinitesimal deformation. The variation of a finite-distance FMT kernel is written via the line integrals of the local deformation gradient along the straight segment connecting its end points. The resulting symmetric pressure tensor consists ...
Added: October 22, 2026
Nazarov D., Faraonov M., Gritsan N. P. et al., Dalton Transactions 2026 Vol. 55 P. 14394–14408
Two axial anionic Dy complexes with the open form of a photochromic spirooxazine and TBA + or Cp* 2 Co + cations were obtained. Both complexes are a single-ion magnets with a high U eff of 680–750 cm −1 and T b = 6 K. One of them is photoresponsive. ...
Added: October 21, 2026
Novikov A., Journal of Photochemistry and Photobiology A: Chemistry 2026 Vol. 485 No. 1 Article 117796
A series of new coumarin-azine fluorophores based on 1,2,4-triazinyl and pyridinyl substituted derivatives of 7-aminocoumarin was synthesized via a nucleophilic substitution of hydrogen (SNH) reaction followed by an inverse electron-demand Diels–Alder transformation. The primary photophysical properties of 3-triazinyl coumarins and their pyridine analogs was investigated in toluene and acetonitrile solutions. Thus, the emission of the fluorophores in ...
Added: October 20, 2026
Logvenkov S. A., Известия РАН. Механика жидкости и газа 2026 № 3 С. 59–75
The problem of the evolution of cell volume fraction in a spherical aggregate composed of cells,
extracellular matrix, and fluid is considered. The aggregate is surrounded by extracellular matrix. The
problem formulation employs a multiphase model of a biological continuum, previously developed by the
author, consisting of two actively interacting solid phases and a fluid. The propagation of ...
Added: October 20, 2026
Liaukovich K., Zhurnal Vysshei Nervnoi Deyatelnosti Imeni I.P. Pavlova 2026 Vol. 76 No. 5 P. 587–598
Added: October 19, 2026
Nersisyan A., Frontiers in Molecular Biosciences 2026 Vol. 13 Article 1995001
Antiviral activity is commonly summarized using endpoint measures such as EC50 or EC90, yet these quantities emerge from a dynamic biological system and depend on viral replication kinetics, host-cell properties, experimental design, and the assay used to quantify infection. Infectious-virus titers, viral RNA, infected-cell fractions, viability measurements, and immune readouts capture different components of the ...
Added: October 15, 2026
Тукачев Н. В., Bataev V., Abramenkov A. et al., Computational and Theoretical Chemistry 2016 No. 1080 P. 23–32
Electronic state calculations, such as equilibrium geometry parameters, harmonic vibrational frequencies and potential barriers to conformational transitions (as well as conformer energy differences in excited states), using ab initio methods, such as MP2, CCSD(T), CASSCF, CASPT2 and MRCI, were carried out on the formamide molecule in the ground (S0) and the lowest excited singlet (S1) ...
Added: October 14, 2026
Тукачев Н. В., Bataev V. А., Godunov I. А., Journal of Quantitative Spectroscopy and Radiative Transfer 2016 Vol. 177 P. 291–300
For conformers of the N-methylformamide (HCONHCH3) molecule, calculations of equilibrium geometry parameters, harmonic vibration frequencies, energy differences and potential barriers to conformational transitions were performed in the ground (S0) and lowest excited singlet (S1) and triplet (T1) electronic states. In the S0 state, the molecule exists in trans and cis stable conformations (having Cs symmetry). ...
Added: October 14, 2026
Тукачев Н. В., Bataev V. А., Godunov I. А., Journal of Quantitative Spectroscopy and Radiative Transfer 2017 Vol. 192 P. 30–41
For acetamide molecule (CH3CONH2) in the ground (S0) and lowest excited singlet (S1) and triplet (T1) electronic states calculations of equilibrium geometry parameters, harmonic vibrational frequencies and barriers to conformational transitions (also conformer energy differences in excited states) using following ab initio methods: MP2, CCSD(T), CASSCF, CASPT2 and MRCI were performed. One-, two- and three-dimensional ...
Added: October 14, 2026
Тукачев Н. В., Bataev V. A., Godunov I. A., Computational and Theoretical Chemistry 2017 Vol. 1113 P. 82–93
Equilibrium geometry parameters, harmonic vibrational frequencies and barriers to conformational transitions and conformer energy differences for N-methylacetamide (CH3CONHCH3) molecule in S0, S1 and T1 electronic states were calculated in MP2 (S0) and CASPT2 (S1, T1) levels of theory. It is known that there are two planar (or effectively planar) conformers of N-methylacetamide in the ground ...
Added: October 14, 2026
Тукачев Н. В., Maslennikov D., Sosorev A. et al., The Journal of Physical Chemistry Letters 2019 Vol. 10 No. 12 P. 3232–3239
Conformational space of polyphenylenevinylene oligomers is systematically investigated computationally at energies relevant for room temperature dynamics in a solvent and in a solid state. Our calculations show that optimal oligomer structures are essentially planar. However, lack of a deep minimum at the planar geometry allows for large molecular deformations even at very low temperatures. At ...
Added: October 14, 2026
Тукачев Н. В., Akkuratov A., Kuznetsov I. et al., Synthetic Metals 2020 Vol. 259 Article 116231
Four new conjugated polymers based on benzodithiophene, thiophene and 2,1,3-benzothiadiazole or 5,6-difluoro-2,1,3-benzothiadiazole were synthesized and investigated as absorber materials for organic photovoltaics. The effect of (bi)thiophene π-spacers and fluorine substitution on the physicochemical and optoelectronic properties of the polymers was revealed and correlations were drawn with their electrical characteristics in organic solar cells. In particular, ...
Added: October 14, 2026
Yin C., Fedorov A., Guo H. et al., Nature 2025 Vol. 648 No. 8094 P. 707–716
Herpes simplex virus 1 (HSV-1) and influenza A viruses (IAV) induce Z-form-nucleic-acid-binding protein 1 (ZBP1)-initiated cell death1,2,3,4,5,6,7,8. ZBP1 is activated by Z-RNA1,7,9, and the Z-RNAs that trigger ZBP1 during HSV-1 and IAV infections were assumed to be of viral origin1. Here, however, we show that host cell-encoded Z-RNAs are major and sufficient ZBP1-activating ligands after ...
Added: November 27, 2025
Khramchikhin A. V., Skryl’nikova M. A., Maxim A. Gureev et al., Molecules 2023 Vol. 28 No. 21 Article 7427
A novel method for synthesizing 1,2,4-triazole- and tetrazole-containing 4H-thiopyrano[2,3-b]quinolines using a new combination of the thio-Michael and aza-Morita–Baylis–Hillman reactions was developed. Target compounds were evaluated for their cytotoxicities and antiviral activities against influenza A/Puerto Rico/8/34 virus in MDCK cells. The compounds showed low toxicity, and some exhibited moderate antiviral activity. Molecular docking identified the M2 ...
Added: January 26, 2024
Sukhorukov G., Paramonov A., Lisak O. et al., PLoS Neglected Tropical Diseases 2023 Vol. 17 No. 3 Article e0011141
Tick-borne encephalitis virus (TBEV) is a flavivirus which causes an acute or sometimes chronic infection that frequently has severe neurological consequences, and is a major public health threat in Eurasia. TBEV is genetically classified into three distinct subtypes; however, at least one group of isolates, the Baikal subtype, also referred to as "886-84-like", challenges this ...
Added: April 8, 2023
Алов И. Н., Байдуж М. И., Goncharov R. et al., Смоленск: Универсум, 2022.
Данна книга является пионерным исследованием, описывающим распространение Covid-19 в регионах России. Коллектив авторов исследует этот феномен в глобальном (на фоне мирового опыта распространения и борьбы с пандемией), региональном и муниципальном аспектах, разбирая особенности каждой из трех волн пандемии. Для обеспечения достоверности выводов использован широкий круг статистической, нормативной, правовой и медийной информации. Результаты исследования, выполненные по гранту РФФИ ...
Added: March 16, 2023