Russian Journal of Bioorganic Chemistry最新文献

{"title":"Mechanochemical Synthesis, Characterization, and Biological Evaluation of N-Cyclohexyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxamide Derivatives","authors":"Drashti Shah,&nbsp;Ashish Patel","doi":"10.1134/S1068162025603180","DOIUrl":"10.1134/S1068162025603180","url":null,"abstract":"<p><b>Objective:</b> To address the global threat of multi-drug resistant tuberculosis (MDR-TB), which compromises roughly 20% of current clinical cases, we designed a structurally diverse library of <i>N</i>-cyclohexyl-1,2,3,4-tetrahydropyrimidine-5-carboxamide (THPM) derivatives targeting essential mycobacterial enzymes. <b>Methods:</b> A sustainable, solvent-free mechanochemical grindstone methodology was developed to assemble the target scaffolds, followed by comprehensive <i>in silico</i> docking and <i>in vitro</i> phenotypic screening against <i>Mycobacterium tuberculosis</i> (<i>Mtb</i>). <b>Results and Discussion:</b> The green synthetic approach afforded the target compounds with excellent yields (85–95%) and significantly reduced reaction times compared to conventional reflux protocols. Among the synthesized library, compounds <b>8</b> and <b>9</b> emerged as highly potent candidates, exhibiting exceptional binding affinities toward both DprE1 and InhA, optimal drug-like properties, and robust anti-TB activity (MIC down to 0.8 μg/mL). <b>Conclusions:</b> These findings demonstrate that mechanochemically synthesized THPM scaffolds represent highly promising lead structures for sustainable anti-TB drug discovery.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148750929","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 Pyrazole and Acyl Hydrazone Derivatives as Potential Anticancer Agents: A Combined DFT and Molecular Docking Approach","authors":"Mohammed Al-Ghorbani,&nbsp;Osama Alharbi,&nbsp;Wael H. Alsaedi,&nbsp;Abdel-Basit Al-Odayni,&nbsp;Ali Alrahlah,&nbsp;Ajay Thakur,&nbsp;Saif H. Althagafi,&nbsp;Munjed M. Ibrahim,&nbsp;Ramith Ramu","doi":"10.1134/S1068162025603258","DOIUrl":"10.1134/S1068162025603258","url":null,"abstract":"<p><b>Objective:</b> Malignant neoplasms remain a paramount global challenge, imposing severe socioeconomic costs and high morbidity and mortality rates worldwide. To address the urgent demand for novel therapeutics, this study focuses on the development of new heterocyclic architectures—specifically pyrazole and acyl hydrazone derivatives—designed to modulate key oncogenic signaling pathways and act as compelling chemotherapeutic candidates. <b>Methods:</b> A novel series of pyrazole and acyl hydrazone derivatives was synthesized and evaluated <i>in vitro</i> for their cytotoxic profiles against HepG2, HCT-116, MCF-7, and A549 human cancer cell lines utilizing the MTT assay, with doxorubicin serving as the reference drug. To evaluate their electronic properties and chemical stability, density functional theory (DFT) computations were performed. Furthermore, molecular docking simulations were executed against Aurora A kinase (PDB ID: 5EW9) and PDZ-binding kinase (PDB ID: 5J0A) to elucidate their binding modes and potential as targeted kinase inhibitors. <b>Results and Discussion:</b> Specifically, <b>IVd</b> and <b>Vc</b> yielded IC₅₀ values of 32.17 and 34.43 µM against HepG2, 11.37 and 13.56 µM against HCT-116, 24.39 and 27.51 µM against MCF-7, and 56.36 and 62.13 µM against A549 cells, respectively, displaying potencies comparable to or exceeding that of doxorubicin. DFT computations revealed optimized frontier molecular orbital profiles, where the calculated HOMO–LUMO energy gaps rationalized the observed chemical stability and electronic properties. In docking studies, compound <b>IVd</b> exhibited a robust binding affinity of –7.7 kcal/mol within the active pocket of Aurora A kinase, whereas <b>Vc</b> demonstrated a binding energy of –7.6 kcal/mol toward PDZ-binding kinase. <b>Conclusions:</b> Collectively, these findings underscore the potential of these dual scaffolds as targeted kinase inhibitors. The demonstrated cytotoxicity and molecular interaction profiles offer a valuable structural and electronic rationale for the design of next-generation anticancer therapeutics.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148750646","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 and Antibacterial Evaluation of Hybrid Vanillin-Based Heterocycles via Knoevenagel Condensation and Thiosemicarbazone-Derived Thiazoles","authors":"Bahgat R. M. Hussein,&nbsp;Hayam H. Mohammed,&nbsp;Eman A. Ahmed,&nbsp;Omran A. Omran","doi":"10.1134/S1068162025603210","DOIUrl":"10.1134/S1068162025603210","url":null,"abstract":"<p><b>Objective:</b> The objective of this study was to design, synthesize, and evaluate the antibacterial efficacy of a novel library of hybrid heterocycles structuralized around a bio-sourced, <i>O</i>-alkylated vanillin framework to expand the chemical space of available antimicrobial agents. <b>Methods:</b> <i>O</i>-Alkylated vanillin (<b>I</b>) was functionalized through two divergent synthetic pathways. First, Knoevenagel condensation of <b>I</b> with diverse active methylene heterocycles yielded ylidene derivatives (<b>II–V</b>). Second, condensation of <b>I</b> with thiosemicarbazide afforded thiosemicarbazone (<b>VI</b>), which subsequently underwent regioselective cyclization with various active halo-compounds to generate thiazole derivatives (<b>VII–IXa–IXe</b>). Semicarbazone analogue (<b>X</b>) was synthesized using an optimized base-catalyzed method to evaluate comparative reactivity. All newly synthesized hybrids were evaluated <i>in vitro</i> for their antibacterial activity against Gram-positive (<i>Staphylococcus aureus</i>, <i>Bacillus cereus</i>) and Gram-negative (<i>Escherichia coli</i>, <i>Pseudomonas aeruginosa</i>) strains <i>via</i> the agar diffusion assay. <b>Results and Discussion:</b> A library of novel vanillin-centered hybrid heterocycles was successfully synthesized and structurally validated by IR and NMR spectroscopies. Chemical reactivity profiling revealed that while thiosemicarbazone <b>VI</b> readily underwent cyclization to form the corresponding thiazoles, the semicarbazone analogue <b>X</b> remained chemically refractory to cyclization under identical conditions. Antibacterial screening demonstrated potent, concentration-dependent inhibitory profiles across the synthesized derivatives. Notably, hybrid ylidene <b>V</b>, incorporating a thiazolo[3, 2-<i>a</i>]benzimidazol-3(2<i>H</i>)-one moiety, exhibited exceptional broad-spectrum antibacterial efficacy, consistently outperforming the other functionalized derivatives. <b>Conclusions:</b> Conjugating a bio-sourced vanillin core with tailored heterocyclic scaffolds provides a robust chemical strategy to enhance antimicrobial potency. The structurally optimized hybrid <b>V</b> represents a compelling lead candidate for the development of next-generation broad-spectrum antibacterial agents.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148750645","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":"Spectral Characterisation of Hymenobacter psoromatis Rhodopsin: The Theoretical and Experimental Study","authors":"A. Kh. Taldaev,&nbsp;A. V. Pavlov,&nbsp;A. S. Limonova,&nbsp;D. V. Smutin,&nbsp;D. A. Fedotov,&nbsp;I. S. Okhrimenko","doi":"10.1134/S106816202660306X","DOIUrl":"10.1134/S106816202660306X","url":null,"abstract":"<p><b>Objective:</b> The <i>Hymenobacter psoromatis</i> (formerly Hymenobacter sp. PAMC 26554) rhodopsin HbR1 gene was identified <i>via</i> bioinformatic analysis. <i>H. psoromatis</i> is a UV-resistant bacterium, the representative of the genus <i>Hymenobacter,</i> widespread in the cryosphere. The <i>Hymenobacter</i> genus microorganisms are Gram-negative, aerobic, rod-shaped, they have red-pink pigmentation, due to the presence of carotenoids. The bacterial pigmentation serves for UV-resistance, photo-protection, lightharvesting probably in the connection with the microbial rhodopsins. The specific biological role of the HbR1 within its host remains unknown but rhodopsin has some unusual properties observed experimentally. <b>Methods:</b> We performed a multidisciplinary study which involves both experimental and theoretical methods to characterize spectroscopic properties of <i>Hymenobacter psoromatis</i> rhodopsin HbR1. <b>Results and Discussion:</b> The predicted structure of HbR1 has low similarity with the structures of the main groups of known rhodopsins. QM/MM-calculated absorption spectra show a good agreement with experimental data. <b>Conclusions:</b> Our results demonstrate a good agreement between experimental and theoretical data. Based on our study, we provide a spectroscopic characterization of HbR1 and propose a possible mechanism for spectral tuning of this protein.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148614966","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":"Design, Synthesis, In Vitro Cytotoxicity, and Molecular Docking of Novel 2-Thioxoimidazolidin-4-one Derivatives","authors":"T. K. Mahdi,&nbsp;D. Z. Mutlaq","doi":"10.1134/S1068162025604069","DOIUrl":"10.1134/S1068162025604069","url":null,"abstract":"<p><b>Objective:</b> A novel series of 2-thioxoimidazolidin-4-one derivatives (<b>T1A–K4A</b>) was efficiently synthesized <i>via</i> a convergent multi-step approach involving the preparation of substituted maleimides from maleic anhydride, intermediate hydrazide formation, and subsequent cyclo-condensation with functionalized isothiocyanates. <b>Methods:</b> The chemical structures of all target compounds were rigorously confirmed using FT-IR, ¹H, ¹³C NMR, and mass spectrometry. The <i>in vitro</i> cytotoxicity was evaluated against human prostate cancer cells (PC-3) using the colorimetric MTT assay. Apoptosis induction was quantified via Annexin V-FITC/PI flow cytometry, and molecular docking simulations were performed targeting the androgen receptor (PDB ID: 2PNU). <b>Results and Discussion:</b> Compounds <b>T1B</b> and <b>T4B</b> exhibited the most potent cytotoxic profiles, displaying IC₅₀ values of 3.80 and 5.65 µM, respectively. Flow cytometric analysis demonstrated that both lead compounds significantly induce apoptosis, increasing late apoptotic populations to 0.29% (<b>T1B</b>) and 1.36% (<b>T4B</b>) relative to the untreated control (0.096%). Furthermore, molecular docking studies revealed a strong binding affinity for <b>T4B</b> (−11.95 kcal/mol), driven by key hydrogen bonding with Arg752 and critical hydrophobic interactions with Trp741 and Phe764. <b>Conclusions:</b> These findings highlight these newly synthesized 2-thiohydantoin derivatives as promising scaffolds for the development of advanced therapeutic agents against prostate cancer.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148614563","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":"Microbial Fabrication of Zinc Oxide Nanoparticles (ZnO NPs) and Evaluation of Antimicrobial and Antioxidant Properties","authors":"J. J. Wilson,&nbsp;R. Ramaa,&nbsp;R. Thangaraj,&nbsp;S. Balaji,&nbsp;Shunmugiah Mahendran,&nbsp;T. Sivakumar,&nbsp;P. Ponmanickam,&nbsp;Baskar Venkidasamy,&nbsp;Rekha Arcot,&nbsp;Muthu Thiruvengadam","doi":"10.1134/S1068162025602563","DOIUrl":"10.1134/S1068162025602563","url":null,"abstract":"<p><b>Objective:</b> In this study, <i>Chryseobacterium gleum</i> was utilized for the biogenic synthesis of zinc oxide nanoparticles (ZnO NPs) and the subsequent evaluation of their antibacterial and antioxidant profiles. <b>Methods:</b> The synthesized ZnO NPs were comprehensively characterized <i>via</i> FT-IR spectroscopy, UV-Vis spectroscopy, XRD, EDX spectroscopy, SEM, AFM, and DLS particle size analysis. Antibacterial efficacy was quantified using standard agar well diffusion and MIC assays. The antioxidant capacity was determined through DPPH, ABTS, H₂O₂ scavenging, reducing power, and total antioxidant capacity assays, while biocompatibility was assessed <i>via</i> cytotoxicity testing. <b>Results and Discussion:</b> UV-Vis spectrophotometric analysis confirmed ZnO NP formation, exhibiting characteristic absorption maxima at 340 and 360 nm. FT-IR spectra verified the presence of functional capping groups and distinct Zn–O lattice vibrations. XRD patterns confirmed the highly crystalline nature of the nanoparticles, while EDX analysis validated their elemental composition as binary Zn and O. AFM topographic profiles revealed an average particle height of ~1.9 nm and a lateral width of ~42 nm, confirming their nanoscale dimensions. The biogenic ZnO NPs demonstrated potent, dose-dependent antibacterial activity, characterized by expanding zones of inhibition and robust microbial growth suppression. Furthermore, antioxidant assays revealed exceptional, concentration-dependent free-radical scavenging performance. <b>Conclusions:</b> Biogenically synthesized ZnO NPs derived from <i>C. gleum</i> exhibit superior antibacterial properties, particularly against <i>Klebsiella pneumoniae</i> and <i>Escherichia coli</i>, alongside notable DPPH radical scavenging capacity and excellent biocompatibility. These findings highlight the significant potential of these nanoarchitectures for biomedical and therapeutic applications.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148614617","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":"Dual Cholinesterase Inhibition and Antimicrobial Activity of 4-Aminoantipyrine-Derived Schiff Bases for the Management of Alzheimer’s Disease and Microbial Infections","authors":"Prasad Sanjay Dhiwar,&nbsp;Pronoy Kanti Das,&nbsp;Samir Panda,&nbsp;Prasenjit Prasad,&nbsp;Vishal Zambre,&nbsp;Fernando Berton Zanchi","doi":"10.1134/S1068162025603726","DOIUrl":"10.1134/S1068162025603726","url":null,"abstract":"<p><b>Objective:</b> Alzheimer’s disease (AD) and microbial infections represent critical global health challenges, particularly within aging populations. Owing to their structural versatility and multi-target pharmacophores, Schiff bases serve as privileged scaffolds for the design of dual-acting therapeutic agents targeting both AD progression and infectious pathogens. <b>Methods:</b> In this study, a novel series of seven Schiff base derivatives (<b>PSD1–PSD7</b>) was synthesized and evaluated for their cholinesterase inhibitory potency and antibacterial efficacy. Antibacterial activity against Gram-positive and Gram-negative strains was quantified <i>via</i> zone of inhibition and minimum inhibitory concentration (MIC) assays. Inhibitory profiles against acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) were systematically determined. Furthermore, molecular docking and binding pocket analyses were performed on AChE (PDB ID: 1EVE), BuChE (PDB ID: 7AWH), and peptide deformylase (PDB ID: 1G2A) to elucidate the structural basis of enzyme inhibition and microbial survival disruption. <b>Results and Discussion:</b> Among the synthesized library, derivative <b>PSD2</b> emerged as the most potent candidate, displaying remarkable AChE inhibition (IC₅₀ = 2.71 µM, selectivity ratio = 10.62) that significantly outperformed the reference drug galantamine (IC₅₀ = 20.3 µM, selectivity ratio = 4.24). In antimicrobial assays, compounds <b>PSD2</b> and <b>PSD4</b> exhibited broad-spectrum efficacy with low MIC values (0.8–2.0 µmol/mL), comparable to the standard antibiotic gentamicin. Computational molecular docking corroborated these experimental findings; <b>PSD2</b> exhibited superior binding affinities within the catalytic gorges of both cholinesterases relative to galantamine, yielding docking scores of –10.7 kcal/mol for AChE and –10.1 kcal/mol for BuChE. <b>Conclusions:</b> A new series of functionally diverse Schiff base derivatives was designed, synthesized, and biologically validated. The exceptional dual cholinesterase inhibition and broad-spectrum antimicrobial profiles demonstrated by <b>PSD2</b> and <b>PSD4</b> underscore their potential as multifunctional lead architectures for disease-modifying therapeutic development.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148614618","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":"Design and Synthesis of New Heterocyclic-Chitosan Loaded Gold Nanoparticles That Induce Cancer Cell Death","authors":"Shamsalmiluk Mohammed Abdulghani,&nbsp;Ruwaidah S. Saeed,&nbsp;Muna Sameer Al-Rawi,&nbsp;Ahmed Majeed Al­Shammari,&nbsp;Waseem Ali Hasan","doi":"10.1134/S106816202560182X","DOIUrl":"10.1134/S106816202560182X","url":null,"abstract":"&lt;p&gt;&lt;b&gt;Objective:&lt;/b&gt; This work involved the synthesis of novel polymer nanocomposites based on chitosan/Schiff bases and coated gold nanoparticles (AuNPs) &lt;b&gt;5a–5b&lt;/b&gt; &lt;i&gt;via&lt;/i&gt; sequential methods, examining their antibacterial activity, and screening their potential as &lt;i&gt;in vitro&lt;/i&gt; anticancer agents. &lt;b&gt;Methods:&lt;/b&gt; The synthesis of the polymer nanocomposites &lt;b&gt;5a–5b&lt;/b&gt; involved a multi-step process. Initially, the symmetrical substituted 1,2,4-triazole-4-amine was prepared through a cyclization reaction of 4-methoxybenzohydrazide in DMSO, followed by a condensation reaction with syringaldehyde or 3,4,5-trimethoxybenzaldehyde, refluxing in dry benzene and AcOH, resulting in the formation of Schiff bases &lt;b&gt;2a–2b&lt;/b&gt;. The addition reaction of acid chloride with &lt;b&gt;2a–2b&lt;/b&gt; in dry benzene yielded &lt;i&gt;N&lt;/i&gt;-acyl derivatives &lt;b&gt;3a–3b&lt;/b&gt;. Modified chitosan derivatives &lt;b&gt;4a–4b&lt;/b&gt; were prepared through the reaction between &lt;b&gt;3a–3b&lt;/b&gt; with chitosan in EtOH. In a blended matrix, AuNPs were bonded to chitosan/Schiff bases &lt;b&gt;4a–4b&lt;/b&gt; &lt;i&gt;via&lt;/i&gt; a simple and green chemical reaction in good yield. The new compounds were tested for their antibacterial and antitumor activities. Moreover, an &lt;i&gt;in vivo&lt;/i&gt; acute oral toxicity study was conducted in mice to evaluate the safety profile of the nanocomposite &lt;b&gt;5a&lt;/b&gt; using three doses from 5000 to 20000 mg/kg. &lt;b&gt;Results and Discussion:&lt;/b&gt; The structures of the prepared compounds were confirmed by FT-IR, &lt;sup&gt;1&lt;/sup&gt;H NMR spectroscopy, and FESEM. Comparative analysis with amoxicillin as a standard antibiotic revealed that all the prepared compounds demonstrated moderate to excellent antibacterial activities against &lt;i&gt;E. coli&lt;/i&gt; (Gramnegative) and &lt;i&gt;Staphylococcus aureus&lt;/i&gt; (Grampositive). Additionally, the cytotoxic effect of the novel polymer nanocomposite &lt;b&gt;5a&lt;/b&gt; against an Iraqi patient-derived breast cancer cell line (AMJ13) was evaluated to estimate antitumor activity at serial concentrations ranging from 5 to 0.0195 µg/mL, and the results were compared with the effect against normal rat embryonic fibroblasts (REF) cell line. The nanocomposite &lt;b&gt;5a&lt;/b&gt; exhibited excellent inhibition of cancer cell proliferation. The cytotoxicity test of this nanocomposite showed no toxic effect in normal cells. Measurements of cytochrome &lt;i&gt;c&lt;/i&gt; oxidase activity and apoptotic figures were used to estimate the capacity to induce apoptosis, which showed the ability of the nanocomposite to induce apoptosis in cancer cells with a lesser effect on normal cells. The acute toxicity results showed no mortality at 5000 mg/kg and only mild toxicity at higher doses, with an estimated LD&lt;sub&gt;50&lt;/sub&gt;​ greater than 20000 mg/kg, indicating a high safety margin. These findings corroborate the &lt;i&gt;in vitro&lt;/i&gt; data, confirming the low toxicity of &lt;b&gt;5a&lt;/b&gt; in normal biological systems. &lt;b&gt;Conclusions:&lt;/b&gt; The effective antitumor activity, biocompatibility, and low &lt;i&gt;in vivo&lt;/i&gt; toxicity of the synthesized nanocomposite ","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148459047","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":"A Binary DNAzyme Machine (BDM) for Selective Amplification-Free Detection of microRNA","authors":"Meera Alaji,&nbsp;Ahmed A. Eldeeb,&nbsp;A. Shalaev,&nbsp;A. Malek,&nbsp;Moustapha A. Y. Nour","doi":"10.1134/S106816202660176X","DOIUrl":"10.1134/S106816202660176X","url":null,"abstract":"<p><b>Objective:</b> Develop a PCR-free DNA nanomachine (BDM) for selective picomolar detection of plasma miR-371a. <b>Methods:</b> A split 10–23 deoxyribozyme was engineered with substrate-delivering hooks and mismatch-introducing arms. The system was validated at 35°C using synthetic targets and patient plasma. <b>Results and Discussion:</b> BDM achieved a 1.6 pM limit of detection, showing a 9-fold sensitivity increase over hook-less controls. It maintained excellent specificity (LOD 1.3 pM) against a 25-fold excess of homologs and successfully identified clinical seminoma samples. <b>Conclusions:</b> BDM offers a sensitive, contamination-resistant alternative to RT-qPCR for non-invasive cancer liquid biopsies.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148459046","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":"Stimulating Effect of W. somnifera Extracts Encapsulated into Chitosan Nanoparticles","authors":"B. Ts. Shagdarova,&nbsp;P. S. Okara,&nbsp;M. A. Efremov,&nbsp;A. P. Lunkov,&nbsp;N. I. Vasilyeva,&nbsp;M. V. Grechikhina,&nbsp;S. B. Akopov,&nbsp;E. V. Svirshchevskaya","doi":"10.1134/S1068162026601394","DOIUrl":"10.1134/S1068162026601394","url":null,"abstract":"<p><b>Objective:</b> Age-related neuronal loss in the brain is a natural process that causes gradual memory decline and may lead to neurodegenerative diseases. Neurodegenerative disorders, including Alzheimer’s and Parkinson’s diseases, are characterized by gradual but irreversible neuronal death. The search for preventive therapies for neurodegeneration remains an important area of research aimed at delaying age-related brain aging. The aim of this study was to analyze orally administered agents capable of preventing or slowing neurodegenerative processes. Polyphenol-rich extracts of <i>Withania somnifera</i> (WS), also known as ashwagandha, which are known to possess neuroprotective properties, were investigated. <b>Methods:</b> Extracts were obtained by maceration of WS root powder in 70% aqueous ethanol or dimethyl sulfoxide and subsequently separated into four fractions (I–IV) by high-performance liquid chromatography (HPLC). The effects of the HPLC fractions were evaluated by assessing cell proliferation, including proliferation of neural cell lines. The original extract was encapsulated into chitosan nano-/microparticles composed of hexanoyl-modified chitosan or <i>N</i>-(4-tetradecyloxybenzyl)chitosan. <b>Results and Discussion:</b> Active compounds in these fractions were identified by mass spectrometry. In total, 43 molecules were identified, with the major signal (65%) corresponding to three molecules with molecular masses of 415 (10.3%), 471 (39.1%), and 485 (50.6%) Da. Molecules with masses of 415 and 471 Da were identified as β-sitosterol and a group of withanolides (withanolides A, B, D, and G; vitasomniferanolide; vitasomnilide; vitasomniferol C; withaferin A; and withanone), respectively. The molecule with a mass of 485 Da was not identified. Isomeric withanolides were detected in fractions I, III, and IV, whereas molecules with masses of 415 and 485 Da were present in fractions I and IV. Fractions I, III, and IV stimulated the proliferation of neural cells over a broad concentration range. The chitosan-encapsulated WS extract also stimulated neural cell proliferation. <b>Conclusions:</b> Encapsulation of the extract into chitosan particles may protect biologically active compounds from degradation in the gastrointestinal tract and improve their bioavailability following oral administration, thereby enabling the future development of effective agents for the prevention of neurodegeneration.</p>","PeriodicalId":758,"journal":{"name":"Russian Journal of Bioorganic Chemistry","volume":"52 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148459179","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}