Russian Journal of Bioorganic Chemistry最新文献

{"title":"One-Pot Synthesis of Azolylmethanesulfonamido-Substituted Oxadiazoles, Thiadiazoles, and Triazoles as Antimicrobial, Antioxidant, and Anticancer Agents Supported by Molecular Docking Studies","authors":"M. Kalyani,&nbsp;S. Muni Sireesha,&nbsp;G. Dinneswara Reddy,&nbsp;V. Padmavathi","doi":"10.1134/S1068162025603544","DOIUrl":"10.1134/S1068162025603544","url":null,"abstract":"<p><b>Objective:</b> A novel series of azolylmethanesulfonamido-substituted oxadiazoles, thiadiazoles, and triazoles was synthesized via an efficient one-pot protocol facilitated by TMSNCS under both conventional heating and ultrasonic irradiation conditions. <b>Methods:</b> The synthesized library demonstrated a broad spectrum of biological profiles, with multiple derivatives exhibiting potent antibacterial, antifungal, antioxidant, and anticancer properties. In silico molecular docking simulations rationalized these phenotypic outcomes, revealing key hydrogen bonding and hydrophobic interactions within the target active sites. All evaluated ligands complied with established drug-likeness criteria. <b>Results and Discussion:</b> In antibacterial assays, compounds <b>4a</b>, <b>4c</b>, <b>5a</b>, <b>5b</b>, <b>5c</b>, and <b>7b</b> displayed significant inhibitory efficacy. Concurrently, derivatives <b>4a</b>, <b>4b</b>, <b>4c</b>, and <b>5c</b> elicited robust antifungal activity, yielding minimum inhibitory concentration (MIC) and minimum bactericidal/fungicidal concentration (MBC/MFC) values comparable to commercial reference drugs. Regarding antioxidant activity, compound <b>4b</b> exhibited the highest binding affinity against the model antioxidant enzyme, engaging in critical anchoring interactions with GLU A:290, ARG A:31, and GLN A:117. Furthermore, select derivatives manifested distinct oncological counter-activities: compounds <b>4b</b>, <b>4c</b>, and <b>5c</b> possessed marked binding affinities toward JAK2, a therapeutic target for breast cancer, whereas <b>5a</b>, <b>5b</b>, and <b>7b</b> selectively targeted PDK1, suggesting potential interventions for prostate carcinoma. Notably, the binding energy of compound <b>5c</b> closely mirrored that of erlotinib, attesting to its potential viability as an ALK inhibitor. <b>Conclusions:</b> The identified drug-likeness and targeted binding affinities position <b>4a</b> and <b>4b</b> as promising antioxidant lead scaffolds.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149034774","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Meglumine-Catalyzed Green Synthesis of 1,4-Naphthoquinone–Coumarin Hybrids as Potential Inhibitors of Glucosamine-6-Phosphate Synthase","authors":"Jayvant P. Sonawane,&nbsp;Sharad R. Patil,&nbsp;Vikas S. Patil,&nbsp;Sandip R. Patil","doi":"10.1134/S1068162025603283","DOIUrl":"10.1134/S1068162025603283","url":null,"abstract":"<p><b>Objective:</b> Herein, we report an eco-friendly, one-pot protocol for the synthesis of novel 1,4-naphthoquinone–coumarin hybrids using meglumine as an organocatalyst in an ethanol–water (1 : 1, <i>v/v</i>) medium at room temperature. Furthermore, we evaluate their antibacterial, antifungal, and pharmacokinetic profiles to assess their potential for oral drug delivery. <b>Methods:</b> Reactions were conducted under ambient conditions in an ethanol–water mixture (1 : 1, <i>v/v</i>), employing solid meglumine as a sustainable organocatalyst. The condensation of 2-formyl lawsone with various active methylene compounds was achieved in a single reactor, completely eliminating the need for column chromatography, with the target products isolated via simple filtration. <i>In vitro</i> antimicrobial activity was screened against representative bacterial and fungal pathogens. <i>In silico</i> evaluations comprised molecular docking simulations against glucosamine-6-phosphate synthase (PDB ID: 2VF5) and computational prediction of ADME parameters. <b>Results and Discussion:</b> Five novel coumarin derivatives were secured in high yields, underscoring the catalytic efficiency of meglumine and the practical simplicity of this filtration-only purification strategy. Compounds <b>4c</b> and <b>4d</b> exhibited potent antimicrobial activity, outperforming standard control agents, and demonstrated strong binding affinities during docking studies with glucosamine-6-phosphate synthase. Predicted pharmacokinetic profiles indicated highly favorable ADME parameters, while drug-likeness indices fully satisfied the criteria required for oral administration. These findings underscore the therapeutic synergy of the hybrid scaffold and highlight its potential as a promising lead candidate for future preclinical development. <b>Conclusions:</b> This meglumine-mediated green synthetic strategy provides a straightforward, atom-economical, and cost-effective route to bioactive 1,4-naphthoquinone–coumarin hybrids possessing pronounced antimicrobial properties. The alignment of the <i>in vitro</i> and <i>in silico</i> data validates the utility of this methodology for generating therapeutic heterocyclic candidates optimized for oral drug delivery.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149034766","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chitosan Nanoparticles: Preparation Methods and Medical Applications","authors":"Eman Zakaria Gomaa","doi":"10.1134/S1068162025603519","DOIUrl":"10.1134/S1068162025603519","url":null,"abstract":"<p>Nanotechnology has catalysed transformative breakthroughs across diverse scientific domains. Among emerging engineered nanomaterials, chitosan nanoparticles (ChNPs) have garnered substantial academic focus owing to their exceptional physicochemical profiles, characterized by inherent biodegradability, biocompatibility, and ecological safety. Within the biomedical sector, ChNPs serve as pivotal platforms due to their versatile chelating capacities, robust antimicrobial performance, and a high density of chemically accessible reactive functional groups. These polymer-based architectures demonstrate outstanding potential as nanocarriers designed for the encapsulation and targeted delivery of diverse therapeutic agents, including small-molecule drugs and bioactive compounds, for the management of various human diseases. Compared to unformulated, free-form counterparts, cargoloaded ChNPs exhibit enhanced therapeutic efficacy, superior structural stability during storage, and controlled, sustained-release kinetic profiles. This review delivers a rigorous and comprehensive systematic overview of contemporary ChNP fabrication methodologies alongside their primary medicinal applications, focusing on targeted drug delivery, oncological interventions, and the treatment of diverse pathological conditions via intrinsic antimicrobial pathways. Furthermore, critical insights into the biocompatibility, safety profiles, and toxicological assessments of ChNPs are evaluated through a comparative analysis of established <i>in vitro</i> tissue cultures and <i>in vivo</i> animal models.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149034633","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of Imidazole-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-Linked 1,2,3-Triazole Hybrids as Potent EGFR-Targeting Anti-Lung Cancer Agents","authors":"Jallala Raju,&nbsp;Ramesh Kola,&nbsp;Srinivas Kumar,&nbsp;Jagadeesh Kumar Ega","doi":"10.1134/S1068162025603428","DOIUrl":"10.1134/S1068162025603428","url":null,"abstract":"<p><b>Objective:</b> This study describes the design, synthesis, and biological evaluation of novel imidazole-[1,2,4]triazolo[3,4-<i>b</i>][1,3,4]thiadiazine-1,2,3-triazole hybrids acting as potent inhibitors of the epidermal growth factor receptor (EGFR) in lung cancer pathways. <b>Methods:</b> A series of 1,2,3-triazole derivatives (<b>VIIa–VIIo</b>) was synthesized via a one-pot 1,3-dipolar cycloaddition reaction of 6-(chloromethyl)-3-(1-methyl-1<i>H</i>-imidazol-2-yl)-7<i>H</i>-[1,2,4]triazolo[3,4-<i>b</i>][1,3,4]thiadiazine 8,8-dioxide (<b>V</b>) with sodium azide and various aryl alkynes at 60°C. The <i>in vitro</i> antiproliferative activity of these newly developed hybrids was evaluated against human lung cancer cell lines using the standard MTT cell viability assay. <b>Results and Discussion:</b> The chemical structures of all synthesized compounds were unambiguously confirmed by ESI-MS, ¹H, and ¹³C NMR spectroscopy. Hybrids <b>VIIl</b> and <b>VIIm</b> demonstrated pronounced cytotoxic profiles, exhibiting IC₅₀ values ranging from 2.09 ± 0.25 to 5.09 ± 0.58 μM against the targeted cancer cells, which is comparable to the clinical reference drug erlotinib. Notably, <i>in vitro</i> kinase assays revealed that compound <b>VIIm</b> possesses exceptional EGFR inhibitory efficacy (IC₅₀ = 0.36 ± 0.02 μM), fully surpassing the potency of erlotinib (IC₅₀ = 0.42 ± 0.02 μM). <b>Conclusions:</b> A novel library of imidazole-[1,2,4]triazolo[3,4-<i>b</i>][1,3,4]thiadiazine-1,2,3-triazole conjugates was successfully validated as effective anticancer leads. The most active compounds exhibited significant selectivity, showing negligible toxicity toward the non-malignant HEK293 cell line. In silico molecular docking simulations confirmed that the highly active derivatives possess superior binding affinities, with energy scores spanning from –9.98 to –10.88 kcal/mol, compared to erlotinib (–7.69 kcal/mol). Consequently, minor structural optimizations of scaffolds <b>VIIl</b> and <b>VIIm</b> offer a highly promising strategic direction for developing next-generation therapeutic candidates in targeted lung cancer oncology.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149034703","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recent Advances in Dendrimers as Potential Therapeutic Delivery Systems","authors":"Smit Saha,&nbsp;Solagiri Mouli,&nbsp;Suresh Mamidi,&nbsp;Venkata Bharat Nishtala","doi":"10.1134/S1068162025603179","DOIUrl":"10.1134/S1068162025603179","url":null,"abstract":"<p>Dendrimers are highly branched, monodisperse macromolecular architectures characterized by well-defined, symmetrical three-dimensional structures. Owing to their unique, tunable physicochemical attributes, these nanoscale platforms have garnered profound interest across drug delivery and biomedical domains. This review comprehensively examines recent advancements in dendrimer-mediated delivery systems, elucidating their capacity to optimize solubility, enhance bioavailability, and facilitate the site-specific targeting of therapeutic payloads. Key biomedical modalities—encompassing oncological therapeutics, nucleic acid delivery, and molecular imaging—are systematically evaluated to showcase the multi-tasking capability of dendrimers as vehicles for hydrophobic small molecules and diagnostic contrast agents. Furthermore, surface engineering strategies, prominently including PEGylation and targeted functionalization, are discussed in the context of mitigating intrinsic cytotoxicity and augmenting systemic biocompatibility. By exploring cutting-edge paradigms such as dendrimer–drug covalent conjugates and multifaceted hybrid nanoplatforms, this review underscores the transformative potential of these nanocarriers to advance precision medicine and offers crucial insights into overcoming translational bottlenecks in targeted therapy.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149034768","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Molecular Diagnostic Studies and Synthesis of Bis-sulfonamide Triazine Derivatives as Antibacterial Agents: Insights from Molecular Docking: Insights from Molecular Docking","authors":"Tuhfa,&nbsp;Mohammad Arshad,&nbsp; Mehnaj,&nbsp;Shakeel Ahmed Ansari,&nbsp;Abdul Roouf Bhat,&nbsp;Fareeda Athar","doi":"10.1134/S1068162025601582","DOIUrl":"10.1134/S1068162025601582","url":null,"abstract":"<p><b>Objectives:</b> To design and synthesize a novel series of bis-sulfonamide derivatives of 2,4-diamino-6-substituted phenyl-1,3,5-triazines and to evaluate their potential as bacterial DNA topoisomerase inhibitors with potent antibacterial activity. <b>Methods:</b> The target compounds were synthesized and evaluated for their <i>in vitro</i> antibacterial efficacy against selected Gram-positive and Gram-negative bacterial strains using zone-of-inhibition and minimum inhibitory concentration (MIC) assays. Cytotoxicity was determined in CHO cells using dose- and time-dependent assays at 48 and 72 h. In silico molecular docking was executed against DNA topoisomerase IV (PDB ID: 4EMV) and DNA gyrase (PDB ID: 4DUH). Fluorescence quenching experiments were performed to biophysically validate the binding interactions. <b>Results and Discussion:</b> The synthesized compounds exhibited robust antibacterial efficacy and demonstrated non-cytotoxic profiles at concentrations up to 50 μM (48 h) and 25 μM (72 h). Docking simulations revealed tight binding interactions within the active sites of both topoisomerase targets, which were strongly corroborated by steady-state fluorescence quenching data. A high degree of consensus was observed between the <i>in vitro</i> antibacterial metrics and <i>in silico</i> structural predictions. <b>Conclusions:</b> These triazine-based bis-sulfonamide derivatives represent a promising therapeutic scaffold for the development of next-generation bacterial DNA topoisomerase inhibitors. Notably, <i>N</i>,<i>N</i>ʹ-[6-(2-nitrophenyl)-1,3,5-triazine-2,4-diyl]-bis-4-bromobenzenesulfonamide emerged as a highly potent lead candidate targeting DNA gyrase/topoisomerase IV, serving as an optimal baseline for further structural optimization.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149034829","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development and Characterization of Multifunctional Chitosan-Based Composite Films Reinforced with Calcium Chloride, Iron Oxide Nanoparticles, Polyethylene Glycol, and Thymus vulgaris Essential Oil","authors":"Ruhee Jan","doi":"10.1134/S1068162025601818","DOIUrl":"10.1134/S1068162025601818","url":null,"abstract":"<p><b>Objective:</b> This study reports the fabrication and comprehensive physicochemical characterization of advanced functionalized chitosan-based composite films tailored for active food packaging applications. The primary objective was to engineer structurally robust, thermally stable, and biocompatible matrices possessing superior barrier and antimicrobial properties by elucidating the synergistic effects of ionic crosslinkers, plasticizers, and inorganic fillers. <b>Methods:</b> A series of seven distinct formulations were developed by incorporating calcium chloride (CaCl₂), polyethylene glycol (PEG-400), and iron oxide (Fe₂O₃) nanoparticles, both individually and in ternary combinations, into a chitosan matrix. <i>Thymus vulgaris</i> essential oil (1.0 g/100 mL) was systematically encapsulated across all formulations as a potent antimicrobial agent. The structural, morphological, thermal, and barrier properties of the resulting biopolymer networks were rigorously evaluated using scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), thermogravimetric analysis (TGA), and water vapor transmission rate (WVTR) measurements alongside water absorption kinetics. <b>Results and Discussion:</b> SEM microstructural analysis revealed that while pristine chitosan exhibits a smooth, nonporous, and homogeneous morphology, the integration of CaCl₂, PEG-400, and Fe₂O₃ disrupts surface uniformity, yielding distinct micro-roughness. XRD patterns confirmed a modulation in polymer crystallinity, indicating a controlled transition from amorphous domains into more ordered semi-crystalline phases induced by the additives. Critically, the multicomponent composite networks exhibited superior mechanical integrity and enhanced intermolecular stabilization compared to control films, driven by a highly dense network of hydrogen and coordination bonds. <b>Conclusions:</b> The structural, barrier, and functional performance of these biopolymer matrices can be precisely tuned through strategic compositional adjustments. Among all formulations, the ternary composite film (F7) demonstrated the highest cross-sectional thickness (116.13 µm) accompanied by a minimal swelling index, correlating with an optimized crosslinking density. Crucially, the F7 matrix exhibited exceptional in vitro fungicidal efficacy against <i>Rhizopus stolonifer</i> and <i>Aspergillus niger</i>. All engineered films maintained high optical transparency, macro-homogeneity, and structural uniformity. This work demonstrates that robust interfacial intermolecular and supramolecular interactions dictate the superior thermal and mechanical performance of the developed chitosan-based nanomaterials.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148987145","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development of a Highly Efficient System for the Production of the Holoform of Recombinant Cytoglobin","authors":"R. G. Atrikhalov,&nbsp;M. A. Semenova,&nbsp;A.P. Khodnenko,&nbsp;O. M. Smirnova,&nbsp;V.V. Britikov,&nbsp;E. V. Britikova,&nbsp;A. A. Ignatova,&nbsp;A.A. Pakhomov,&nbsp;Zh.V. Bochkova,&nbsp;N. A. Brazhe,&nbsp;V. A. Oleinikov,&nbsp;E. V. Bocharov,&nbsp;M. P. Kirpichnikov,&nbsp;D. A. Dolgikh,&nbsp;R. V. Chertkova","doi":"10.1134/S1068162026603733","DOIUrl":"10.1134/S1068162026603733","url":null,"abstract":"&lt;p&gt;&lt;b&gt;Objective:&lt;/b&gt; A highly efficient production system for recombinant human cytoglobin using minimal medium has been developed and optimized. This system enables the production of the water-soluble holoform of the protein—in both unlabeled and isotopically labeled forms—in quantities sufficient for comprehensive studies. &lt;b&gt;Methods:&lt;/b&gt; The development of the &lt;i&gt;E. coli&lt;/i&gt; expression system for the recombinant &lt;i&gt;CYGB&lt;/i&gt; gene was performed using the pET-17b plasmid vector. A series of experiments involving multifactorial optimization of &lt;i&gt;CYGB&lt;/i&gt; expression conditions was performed, varying incubation temperature and duration, final concentrations of IPTG and δ-ALA, and culture medium composition. Four &lt;i&gt;E. coli&lt;/i&gt; strains were tested: SHuffle T7, BL21(DE3)&lt;i&gt;pLysS&lt;/i&gt;, JM-109, and BL21(DE3). Expression in rich medium was carried out in TB medium with IPTG at 0.1–0.5 mM; the highest yields were obtained with BL21(DE3)&lt;i&gt;pLysS&lt;/i&gt; in TB medium supplemented with 0.2 mM IPTG at 37°C for 20 h. Isolation and purification of the Cygb apoprotein from inclusion bodies under denaturing conditions was performed using 6 M guanidine hydrochloride or urea, followed by renaturation in the presence of hemin. For the water-soluble holoprotein, a system for Cygb production in M9 minimal medium was developed. Cultivation parameters included BL21(DE3)&lt;i&gt;pLysS&lt;/i&gt;, IPTG up to 0.15 mM, δ-ALA at 0.8 mM, and post-induction incubation for 16–17 h at 37°C under reduced aeration (180 rpm). For the &lt;sup&gt;15&lt;/sup&gt;N-labeled variant, &lt;sup&gt;15&lt;/sup&gt;N-ammonium chloride was supplied as the sole nitrogen source. Isolation and purification of the native Cygb holoprotein included homogenization, ammonium sulfate fractionation up to 60% saturation, anion-exchange chromatography on Mono Q-20, concentration by ammonium sulfate precipitation up to 80% saturation, size-exclusion chromatography on Sephadex G-75, and lyophilization. Physicochemical characterization was performed using UV-visible, CD, and NMR spectroscopy, dynamic light scattering, and Raman spectroscopy with 532 nm laser excitation. &lt;b&gt;Results and Discussion:&lt;/b&gt; UV-visible, CD, and NMR spectroscopy data indicate that the recombinant cytoglobin is a structured holoform of an alpha-helical protein with a hydrodynamic diameter of approximately 5.4 nm (as determined by dynamic light scattering). It was demonstrated by Raman spectroscopy with 532 nm laser excitation that the heme in both the ferrous and ferric cytoglobin forms exhibits characteristic maxima typical of &lt;i&gt;b&lt;/i&gt;-type hemes, with the iron atom being six-coordinated. Preparative quantities of recombinant holo-cytoglobin and its &lt;sup&gt;15&lt;/sup&gt;N-labeled variant were obtained using the developed production system. Quality control of the &lt;sup&gt;15&lt;/sup&gt;N-labeled cytoglobin by NMR spectroscopy revealed a high degree of &lt;sup&gt;15&lt;/sup&gt;N-isotope incorporation into the protein. Furthermore, the &lt;sup&gt;1&lt;/sup&gt;H-&lt;sup&gt;15&lt;/sup&gt;N HSQC spectrum showed broad chemical shift dis","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149034536","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Microwave-Assisted, Sustainable, and Click-Chemistry Synthetic Approaches to 2-(4-(((Benzo[4,5]oxazolo[2,3-c]triazol-3-yl)thio)-methyl)-1H-1,2,3-triazol-1-yl)-N-(substituted)acetamides and Their Antimicrobial Activity","authors":"Darshit B. Chhag,&nbsp;Hetali A. Modi,&nbsp;Pooja D. Suradiya,&nbsp;Dushyant V. Pathak,&nbsp;Tejal D. Bhatt,&nbsp;Ghanshyam L. Jadav","doi":"10.1134/S1068162025603386","DOIUrl":"10.1134/S1068162025603386","url":null,"abstract":"<p><b>Objective:</b> An efficient, sustainable, and click-chemistry-driven protocol is described for the synthesis of novel 2-(4-(((benzo[4,5]oxazolo[2,3-<i>c</i>]triazol-3-yl)thio)methyl)-1<i>H</i>-1,2,3-triazol-1-yl)-<i>N</i>-(substituted)acetamides under microwave irradiation. <b>Methods:</b> The target scaffolds were assembled via a one-pot copper-catalyzed azide–alkyne cycloaddition (CuAAC) between 3-(prop-2-yn-1-ylthio)benzo[4,5]oxazolo[2,3-<i>c</i>]triazole and various 2-azido-<i>N</i>-phenylacetamides. The transformations were mediated by a CuSO₄/sodium ascorbate catalytic system in a ternary DMF : <i>t</i>-BuOH : H₂O solvent mixture, evaluated under both conventional thermal heating and microwave irradiation profiles. <b>Results and Discussion:</b> A comparative analysis demonstrated that the microwave-assisted methodology significantly enhanced reaction kinetics and efficiency, affording the desired products in superior yields (80–94%) within 6–12 min, whereas conventional heating required 1.0–2.5 h to achieve moderate yields of 64–80%. Biological screening indicated that the synthesized cycloadducts possess moderate in vitro activity against the tested microbial strains. <b>Conclusions:</b> A rapid, sustainable, click-chemistry protocol was developed for the synthesis of novel benzooxazolo-triazole acetamides via one-pot CuAAC. Microwave irradiation offered clear advantages over conventional heating, accelerating reaction kinetics and improving yields. In vitro screening showed weak to moderate antibacterial activity for compounds <b>III–VIII</b> and distinct antifungal activity for <b>II</b>, <b>III</b>, and <b>VI</b>.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148986656","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Evaluation of the Anti-Neuroinflammatory Activity of Theophylline Derivatives in Activated Microglia","authors":"Xiaoting Zhang,&nbsp;Huibin Zhang,&nbsp;Mengmeng Huang,&nbsp;Zihao Li,&nbsp;Lan Wang,&nbsp;Ruifang Li,&nbsp;Xixi Hou","doi":"10.1134/S1068162025603295","DOIUrl":"10.1134/S1068162025603295","url":null,"abstract":"<p>ctive: Microglial activation-mediated neuroinflammation is a pivotal pathological hallmark of various neurological disorders. Although theophylline suppresses pro-inflammatory cytokine secretion, and 1,2,3-triazole scaffolds possess intrinsic anti-inflammatory properties, the potential of their hybrid architectures remains largely unexplored. This study evaluates the anti-neuroinflammatory efficacy of a novel series of theophylline-1,2,3-triazole derivatives. <b>Methods:</b> The target theophylline-1,2,3-triazole hybrids were synthesized via copper-catalyzed azide-alkyne cycloaddition (CuAAC) click chemistry. Their inhibitory effects on microglial inflammation and associated cytotoxicity were evaluated using Griess and MTT assays, respectively. Furthermore, real-time quantitative PCR (RT-qPCR) and Western blot analyses were employed to assess the expression of key inflammatory mediators in lipopolysaccharide (LPS)-stimulated BV-2 microglia. <b>Results and Discussion:</b> Among the 16 synthesized derivatives, compound <b>2f</b> exhibited the most potent inhibitory effect against microglial inflammation. At a concentration of 10 μM, compound <b>2f</b> suppressed nitric oxide (NO) production to 29.18 ± 6.51% compared to the LPS-treated control, displaying an IC₅₀ value of 2.31 ± 0.029 μM with no detectable cytotoxicity. Mechanistically, compound <b>2f</b> significantly attenuated the expression of classical M1 phenotypic markers, including NO, IL-1β, IL-6, TNF-α, iNOS, and COX-2, in LPS-challenged microglia. <b>Conclusions:</b> Compound <b>2f</b> effectively mitigates the inflammatory response in LPS-induced BV-2 microglial cells without affecting cell viability. These findings highlight the therapeutic potential of compound <b>2f</b> in managing microglial hyperactivation and provide a structural blueprint for designing novel anti-neuroinflammatory agents.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148987143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}