Carbohydrate Research最新文献

{"title":"Structure and gene cluster of the capsular polysaccharide of Acinetobacter baumannii K104","authors":"Anna M. Shpirt ,&nbsp;Zakhar V. Serpokrylov ,&nbsp;Andrei V. Perepelov ,&nbsp;Andrei S. Dmitrenok ,&nbsp;Mikhail M. Shneider ,&nbsp;Anastasiya V. Popova ,&nbsp;Philip V. Toukach ,&nbsp;Yuriy A. Knirel","doi":"10.1016/j.carres.2025.109745","DOIUrl":"10.1016/j.carres.2025.109745","url":null,"abstract":"<div><div>Structure of the <em>Acinetobacter baumannii</em> MAR20-4513 (K104) capsular polysaccharide (CPS) was established using Smith degradation, ¹H and ¹³C NMR spectroscopy, including two-dimensional homonuclear ¹Н,¹Н COSY, TOCSY, ROESY and heteronuclear ¹Н,¹³C HSQC and HMBC experiments, and modeling. The K104 CPS is composed of a branched pentasaccharide K unit containing two <span>d</span>-Glc<em>p</em> residues, and one residue each of <span>d</span>-Gal<em>p</em>NAc, <span>d</span>-Glc<em>p</em>NAc and <span>d</span>-Gal<em>p</em>. The following structure of the pentasaccharide repeating unit of the CPS was established.</div><div>Functions of genes in the K locus of <em>A. baumannii</em> K104 were assigned by a comparison with sequences in the available databases and found to be in agreement with the CPS structure.</div></div>","PeriodicalId":9415,"journal":{"name":"Carbohydrate Research","volume":"559 ","pages":"Article 109745"},"PeriodicalIF":2.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145548461","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Impact of 6-purine modifications on the ribose substrate selectivity of pyrimidine nucleoside phosphorylase (PyNP) in base exchange reactions","authors":"Akihiko Hatano ,&nbsp;Riki Matsuzaka ,&nbsp;Rai Hamano ,&nbsp;Genki Shimane ,&nbsp;Toranosuke Fukatsu ,&nbsp;Hibiki Okumoto ,&nbsp;Masatoshi Kidowaki ,&nbsp;Toshifumi Konishi","doi":"10.1016/j.carres.2025.109739","DOIUrl":"10.1016/j.carres.2025.109739","url":null,"abstract":"<div><div>Pyrimidine nucleoside phosphorylase (PyNP) catalyzes phosphorolysis and base exchange reactions, providing an eco-friendly and stereoselective approach for synthesizing unnatural nucleosides. This study investigates PyNP substrate specificity, particularly the effects of functional group modifications at the 6-position of purine nucleobases on enzymatic base exchange reactions using thymidine (Thd) or uridine (Urd) as ribose donors. The reaction rate with the two ribose donors varied significantly depending on the 6-substituent on purine bases. Compounds with 6-monoalkylamino groups preferentially reacted with uridine (Thd/Urd values lower than 1.0), while 6-dialkylamino groups favored thymidine (Thd/Urd values greater than 1). When an ether or alkyl group was introduced at the 6-position, the corresponding purine was found to react preferentially with thymidine as a ribose donor. Docking simulations suggested that the steric hindrance of a 6-dialkylamino group affected substrate positioning, leading to a preferential reaction with thymidine, while increasing the steric hindrance of the 2′-hydroxyl group of uridine. On the other hand, 6-monoalkylaminopurines were less sterically hindered, and the ribose moiety was located away from the pocket surface of the enzyme, suggesting that the presence or absence of the 2′-hydroxyl group of the ribose form had minimal impact. Thus, selectivity (Thd/Urd value) showed a slight preference for uridine, albeit not significant. These results demonstrate that, in the bi-substrate enzymatic reaction of PyNP, one substrate recognizes the structure of the other, thereby altering its reactivity. Specifically, it was revealed that the positioning of one substrate within the enzyme pocket induces conformational changes in the other substrate, consequently influencing the nucleophilic reaction.</div></div>","PeriodicalId":9415,"journal":{"name":"Carbohydrate Research","volume":"559 ","pages":"Article 109739"},"PeriodicalIF":2.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145534390","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Marine-derived phosphorylated chitosan: Structural insights and bioactivities of a novel carbohydrate polymer","authors":"Nischel Robin ,&nbsp;Annathai Pitchai ,&nbsp;Pasiyappazham Ramasamy","doi":"10.1016/j.carres.2025.109738","DOIUrl":"10.1016/j.carres.2025.109738","url":null,"abstract":"<div><div>Phosphorylation of chitosan derived from <em>Loligo duvauceli</em> offers a promising strategy to enhance its biomedical functionality. This research investigates the therapeutic potential of phosphorylated chitosan (PCH) synthesized from the gladius (internal shell) of <em>L. duvauceli</em>, with a focus on its antibacterial, antioxidant, and anticoagulant properties. Structural and morphological modifications following phosphorylation were confirmed through Fourier-transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), and field emission scanning electron microscopy (FESEM) analyses. Antibacterial evaluation revealed effective inhibition against both Gram-positive bacteria (<em>Staphylococcus aureus</em>, 12 ± 1.25 mm) and Gram-negative bacteria (<em>Escherichia coli</em>, 10 ± 0.82 mm). Antioxidant activity was assessed via DPPH (2,2-diphenyl-1-picrylhydrazyl) assay, superoxide radical scavenging assay, and ferrous ion chelation assay. These tests demonstrated robust free radical neutralization. Anticoagulant efficacy was validated through activated partial thromboplastin time (APTT: 111 ± 3.52 s at 100 μg/mL) and prothrombin time (PT: 72 ± 2.25 s at 100 μg/mL). Results indicate significant prolongation of clotting times and modulation of the intrinsic coagulation pathway. These findings confirm the multifunctional bioactivity of PCH and underscore its promise as an eco-friendly biopolymer derived from marine organisms for innovative biomedical applications.</div></div>","PeriodicalId":9415,"journal":{"name":"Carbohydrate Research","volume":"559 ","pages":"Article 109738"},"PeriodicalIF":2.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145480638","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation of the bioactivities of N, N, N-trimethyl chitosan derivatives constructed with sulfonic zwitterionic moieties","authors":"Yonggang Peng ,&nbsp;Ying Yu ,&nbsp;Zhongwen Su ,&nbsp;Yujing Zhong ,&nbsp;Yikai Chen ,&nbsp;Yangfan Mao ,&nbsp;Sekar Vijayakumar ,&nbsp;Meihua Xin ,&nbsp;Mingchun Li","doi":"10.1016/j.carres.2025.109721","DOIUrl":"10.1016/j.carres.2025.109721","url":null,"abstract":"<div><div>In this work, a novel class of sulfonic zwitterion-modified quaternary ammonium chitosan derivatives was prepared using <em>N, N, N</em>-trimethyl chitosan (TMCI) as the structural backbone. To verify the successful synthesis, the resulting compounds were comprehensively analyzed in terms of their molecular configurations, thermal behavior, and crystalline properties. Characterization techniques included Fourier-transform infrared (FTIR) spectroscopy, proton nuclear magnetic resonance (¹H NMR), thermogravimetric analysis (TGA), and X-ray diffraction (XRD). Antibacterial performance was comprehensively evaluated through minimum inhibitory concentration (MIC), minimum bactericidal concentration (MBC), and inhibition rate assessments against both Gram-negative <em>Escherichia coli</em> and Gram-positive <em>Staphylococcus aureus</em>, revealing enhanced antibacterial activity following modification. Antioxidant properties were examined through DPPH, superoxide, and hydroxyl radical scavenging assays, all of which confirmed strong free radical elimination. Furthermore, cytocompatibility tests verified excellent biocompatibility, underscoring their safety for biomedical applications. Collectively, these results highlight the critical role of structural modification in regulating the bioactivity of chitosan-based systems. The multifunctional properties of these derivatives—including potent antimicrobial activity, effective oxidative stress mitigation, and favorable biocompatibility—provide a strong foundation for their potential use in biomedical materials, smart packaging, and preservation technologies.</div></div>","PeriodicalId":9415,"journal":{"name":"Carbohydrate Research","volume":"559 ","pages":"Article 109721"},"PeriodicalIF":2.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145398121","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Esterification of nanocellulose with ferulic acid: A sustainable approach towards robust antibacterial material","authors":"Guruprasad R. Mavlankar ,&nbsp;Prajakta P. Baikar ,&nbsp;Deepa N. Rangadal ,&nbsp;Akshay Chavan ,&nbsp;Ketan Malkhede ,&nbsp;Minakshi N. Bhatu ,&nbsp;Shubhangi P. Patil","doi":"10.1016/j.carres.2025.109737","DOIUrl":"10.1016/j.carres.2025.109737","url":null,"abstract":"<div><div>The growing demand for sustainable and renewable materials has intensified interest in cellulose, a natural, biodegradable, and environmentally friendly polymer. In this study, nanocellulose (NC) was synthesised from agricultural waste corn husk and surface-functionalized via esterification with ferulic acid (FA) to enhance its biological properties. The successful formation of NC was confirmed by Fourier Transform Infrared Spectroscopy (FTIR). At the same time, its morphology and crystallinity were characterised using Transmission Electron Microscopy (TEM), Scanning Electron Microscopy (SEM), and X-ray Diffraction (XRD). FTIR analysis and solid-state ¹³C Nuclear magnetic resonance (¹³C NMR) confirmed the effective esterification of ferulic acid onto the NC surface. The ferulic acid–modified nanocellulose (F-NC) exhibited synergistic interactions between NC and FA, resulting in significantly enhanced antibacterial activity compared to unmodified NC, with inhibition zones of Bacillus subtilis (21.00 ± 1.00 mm), <em>Escherichia coli</em> (17.66 ± 0.57 mm), <em>Staphylococcus aureus</em> (17.66 ± 0.57 mm), <em>Salmonella typhi</em> (20.66 ± 1.15 mm), and <em>Pseudomonas aeruginosa</em> (19.00 ± 1.00 mm). Furthermore, in silico molecular docking studies revealed strong binding affinities of F-NC with key proteins involved in wound healing, TGF-β receptor (−12.3 kcal/mol), MAPK13 (−10.4 kcal/mol), and TNF-α (−11.0 kcal/mol)indicating its potential in modulating wound repair pathways. These results suggest that F-NC serves as a promising dual-functional biopolymer with applications in both infection control and tissue regeneration, offering an eco-friendly solution for advanced biomedical and material science applications.</div></div>","PeriodicalId":9415,"journal":{"name":"Carbohydrate Research","volume":"559 ","pages":"Article 109737"},"PeriodicalIF":2.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145475174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation, structural characterization, and pharmacological applications of polysaccharides from the genus Aconitum: A review","authors":"Zhimin Jian ,&nbsp;Mingyang Cao ,&nbsp;Fangyu Li ,&nbsp;Yonghui Rui ,&nbsp;Feiya Zhao ,&nbsp;Aien Tao","doi":"10.1016/j.carres.2025.109736","DOIUrl":"10.1016/j.carres.2025.109736","url":null,"abstract":"<div><div>There are approximately 350 species of Aconitum worldwide, primarily distributed in the northern temperate zone, with a significant presence in Asia. Modern pharmacological studies have demonstrated that <em>Aconitum</em> polysaccharides (APS) exhibit a range of biological activities, including immune enhancement, hypoglycemic effects, anti-inflammatory properties, antitumor activity, antioxidant effects, and cholesterol-lowering capabilities. These attributes have positioned APS at the forefront of research focused on their development and application, indicating a promising future in the fields of biomedicine and functional foods. Furthermore, the methods employed for extraction, isolation, and purification can substantially influence the content, purity, and subsequent structural characterization of APS, thereby affecting their biological activities. Despite their significance, a comprehensive review of APS is currently lacking. Given the critical role of these polysaccharides in biological research and drug development, this review aims to gather and synthesize information regarding extraction, isolation, and purification methods, structural characterization, pharmacological activities, and potential mechanisms of action of polysaccharides derived from <em>Aconitum</em>, utilizing various literature databases up to the publication date of this review. This paper seeks to provide a theoretical foundation and technical guidance for the development of APS into biopharmaceuticals, functional foods, and biomaterials.</div></div>","PeriodicalId":9415,"journal":{"name":"Carbohydrate Research","volume":"559 ","pages":"Article 109736"},"PeriodicalIF":2.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145494689","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structure and gene cluster of the capsular polysaccharide produced by Acinetobacter baumannii K111","authors":"Andrei V. Filatov ,&nbsp;Anna M. Shpirt ,&nbsp;Andrei V. Perepelov ,&nbsp;Andrei S. Dmitrenok ,&nbsp;Mikhail M. Shneider ,&nbsp;Philip V. Toukach ,&nbsp;Yuriy A. Knirel","doi":"10.1016/j.carres.2025.109760","DOIUrl":"10.1016/j.carres.2025.109760","url":null,"abstract":"<div><div>Structure of the capsular polysaccharide (CPS) from <em>A. baumannii</em> MAR21-2688 strain (classified as KL111 type) was established using ¹H and ¹³C NMR spectroscopy, including two-dimensional homonuclear ¹Н,¹Н COSY, TOCSY, ROESY and heteronuclear ¹Н,¹³C HSQC and HMBC experiments and chemical methods including component analyses and Smith degradation. The following structure of the branched hexasaccharide repeating K-unit was established:<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (125KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div><div>Functions of genes in the K locus of <em>A. baumannii</em> K111 were assigned by a comparison with sequences in the available databases and found to be in agreement with the CPS structure.</div></div>","PeriodicalId":9415,"journal":{"name":"Carbohydrate Research","volume":"559 ","pages":"Article 109760"},"PeriodicalIF":2.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145621026","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Functional characterization and effect of polysaccharides on the activity of GH16 β-agarase from Gelidibacter salicanalis PAMC21136","authors":"Lakshan Paudel ,&nbsp;Bashu Dev Pardhe ,&nbsp;Sushma Gupta ,&nbsp;So-Ra Han ,&nbsp;Jun Hyuck Lee ,&nbsp;Tae-Jin Oh","doi":"10.1016/j.carres.2025.109719","DOIUrl":"10.1016/j.carres.2025.109719","url":null,"abstract":"<div><div>β-agarase is the key enzyme for the primary degradation of agar, a major component of red algae. This study demonstrates cloning, overexpression and characterization of a recombinant GH16 β-agarase (WP_199597959) from Antarctic bacterium <em>Gelidibacter salicanali</em>s PAMC21136. Biochemical properties demonstrated that the maximum activity was observed at pH and temperature of 7.0 and 50°C, respectively using agarose as a substrate. The agarolytic activity of WP_199597959 on agarose was found to be endo-type with production of neoagarobiose (NA2) as a major product. Mn²⁺ metal ion significantly enhanced the activity, doubling the reaction rate as compared with other metal ions. Neoagarooligosaccharides (NAOSs) like neoagarotetraose (NA4), and neoagarohexaose (NA6) hydrolyzed into NA2. <em>In-silico</em> analysis demonstrated that the key catalytic residues <em>E184</em> and <em>E189</em> are involved in retaining hydrolytic mechanisms. <em>In-vitro,</em> interaction with negatively charged carboxymethyl cellulose (CMC) enhanced the enzyme activity by 15% while positively charged chitosan (CS) decreased the enzyme activity by 12%, highlighting the effect of biopolymers on enzyme activity within the microenvironment interaction. These findings may provide insight into biochemical properties and application of WP_199597959 for agarose degradation.</div></div>","PeriodicalId":9415,"journal":{"name":"Carbohydrate Research","volume":"559 ","pages":"Article 109719"},"PeriodicalIF":2.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145398087","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 glyco-nanoparticles for probing the glyco-codes of cancer","authors":"A.K.M. Atique Ullah ,&nbsp;Xuefei Huang","doi":"10.1016/j.carres.2025.109757","DOIUrl":"10.1016/j.carres.2025.109757","url":null,"abstract":"<div><div>Aberrant glycosylation is a hallmark of cancer, producing tumor-associated carbohydrate antigens (TACAs) and altering cell-surface interactions that reshape adhesion, signaling, and immune recognition. These altered glycans, collectively referred to as the “cancer glyco-code”, represent unique glycan expression patterns that create actionable targets for diagnosis and therapy. The glycan-binding proteins that recognize and interpret these structures, termed the “readers” of the glyco-code, include lectin families such as Siglecs, galectins, selectins, and cluster of differentiation 44 (CD44). Glyco-nanoparticles (GlycoNPs) are inspired by glyco-code and designed to probe these readers by multivalently presenting tumor-relevant glycans on engineered cores (gold, iron oxide, polymers), thereby boosting avidity and selectivity in cancer targeting. This review distills design principles for GlycoNPs’ core selection, conjugation chemistry, glycan density/orientation, and multivalency control, and reviews applications in surface-enhanced Raman scattering (SERS), magnetic resonance imaging (MRI), high-throughput glycan binding screens, and targeted drug delivery. We highlight immune-modulatory strategies (e.g., Siglec decoying, galectin blockade, and glycan-guided macrophage reprogramming) that position GlycoNPs as “glycan immune checkpoints.” We also examine translational bottlenecks: inter- and intra-tumoral glycan heterogeneity; manufacturing reproducibility (density/orientation/valency); colloidal and biological stability; pharmacokinetics; and regulatory expectations for characterization and immunogenicity. Finally, we outline emerging applications that may accelerate bench-to-bedside translation. Overall, GlycoNPs offer a modular, multiplexable path to precision oncology, enabling reader-guided tumor profiling, imaging, and intervention through the language of glycans.</div></div>","PeriodicalId":9415,"journal":{"name":"Carbohydrate Research","volume":"559 ","pages":"Article 109757"},"PeriodicalIF":2.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145573154","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural elucidation of fructose-based carbohydrates isolated from Atractylis aristata n-butanol extract with in vitro and in silico assessment of dual α-amylase inhibition and yeast cytotoxicity","authors":"Asma Abid ,&nbsp;Oussama Khaoua ,&nbsp;Mahdi Belguidoum ,&nbsp;Tatou Touahria ,&nbsp;Nour Elhouda Mekhedmi ,&nbsp;kamilia Birech","doi":"10.1016/j.carres.2025.109720","DOIUrl":"10.1016/j.carres.2025.109720","url":null,"abstract":"<div><div>This study presents the first detailed structural and biological characterization of fructose-based oligosaccharides <em>Atractylis aristata</em> is a medicinal plant, the saccharide composition of which remains largely uncharacterized. Four saccharides, ranging from mono-to trisaccharides, were isolated from the n-butanol extract and structurally elucidated using 1D and 2D NMR spectroscopy. The identified compounds were β-D-fructofuranoide (<strong>S1</strong>), β-<span>d</span>-fructopyranosyl-(2 → 1)-<span>d</span>-fructofuranose (<strong>S2</strong>), β-<span>d</span>-fructofuranosyl-(2 → 1)-α-<span>d</span>-glucopyranoside (Sucrose) (<strong>S3</strong>), and O-β-<span>d</span>-fructofuranosyl-(2 → 6)-β-<span>d</span>-fructofuranosyl-(2 → 1)-α-<span>d</span>-glucopyranoside (6-kestose) (<strong>S4</strong>). <strong>Biological screening included <em>α</em>-amylase inhibition assays and cytotoxicity evaluation using a yeast (</strong><em>Saccharomyces cerevisiae</em><strong>) model.</strong> Among the tested compounds, 6-kestose exhibited the strongest <em>α</em>-amylase inhibitory activity (IC₅₀ = 79.099 μg/mL), surpassing acarbose (IC₅₀ = 155.45 μg/mL), while no cytotoxic effects were observed even at high concentrations. Complementary computational analyses confirmed the stability and reactivity of the saccharides, emphasizing the role of hydroxyl and fructofuranosyl groups in enzyme binding. Frontier molecular orbital and electrostatic potential mapping revealed high molecular stability and well-distributed charge density, while molecular docking and dynamics simulations demonstrated strong and stable interactions of 6-kestose with catalytic residues Asp197 and Glu233. These findings establish <em>A. aristata</em> as a promising and safe natural source of α-amylase inhibitors, offering valuable molecular insights for the future development of antidiabetic agents.</div></div>","PeriodicalId":9415,"journal":{"name":"Carbohydrate Research","volume":"559 ","pages":"Article 109720"},"PeriodicalIF":2.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145457541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}