International Journal of Biological Macromolecules最新文献

筛选
英文 中文
Bioactive protein/polysaccharide hydrogel functionalized bone implants surface for enhanced osteogenesis 生物活性蛋白/多糖水凝胶功能化骨植入物表面促进成骨。
IF 7.7 1区 化学
International Journal of Biological Macromolecules Pub Date : 2025-06-01 DOI: 10.1016/j.ijbiomac.2025.144626
Hongyun Ma , Xiaochen Su , Jingqi Liang , Liang Liu , Jianbo Sun , Jin Tong , Jun Lu , Yingang Zhang , Bo Lei , Hongmou Zhao
{"title":"Bioactive protein/polysaccharide hydrogel functionalized bone implants surface for enhanced osteogenesis","authors":"Hongyun Ma ,&nbsp;Xiaochen Su ,&nbsp;Jingqi Liang ,&nbsp;Liang Liu ,&nbsp;Jianbo Sun ,&nbsp;Jin Tong ,&nbsp;Jun Lu ,&nbsp;Yingang Zhang ,&nbsp;Bo Lei ,&nbsp;Hongmou Zhao","doi":"10.1016/j.ijbiomac.2025.144626","DOIUrl":"10.1016/j.ijbiomac.2025.144626","url":null,"abstract":"<div><div>Bone implants play a critical role in the treatment of orthopedic diseases, however, conventional polymer or ceramic or metal implants possess various problems in enhancing bone repair and osteointegration. Recent years, the bioactive bone implants with biomimetic mechanical surface with natural extracellular matrix has shown promising role in reinforcing bone integration and regeneration. Biomedical hydrogels coating strategy has attracted much attention in bone implants modification, due to their adjustable surface biomechanics, bioactivities and drug release ability. Based on the principles of mechanical compatibility for biodegradable scaffold materials, it facilitates a “soft-hard synergy” in bone repair. This review provides an overview of recent advances in the field of hydrogel modification for bone implants, including the polysaccharide hydrogels (such as chitosan, alginate, and hyaluronic acid) and protein hydrogels (such as gelatin and collagen). Furthermore, this review explores the current understanding of the biomechanical mechanisms underlying bone formation in hydrogel-modified implants within the body, presents the challenges and future directions in this field. This study integrates engineering, developmental biology, and clinical perspectives, offering unique insights for the development of functional strategies for bone implants aimed at enhancing the treatment of orthopedic diseases.</div></div>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":"317 ","pages":"Article 144626"},"PeriodicalIF":7.7,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144148748","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Influence of one-step enzymatic modification on the structure, physicochemical, and functional properties of dietary fiber from corn husk rich in (hemi)cellulose 一步法酶修饰对富含(半)纤维素的玉米壳膳食纤维结构、理化和功能特性的影响。
IF 7.7 1区 化学
International Journal of Biological Macromolecules Pub Date : 2025-06-01 DOI: 10.1016/j.ijbiomac.2025.144683
Jing Xing, Zheng Zhang, Qinqin Zhao, Xuezhi Li, Jian Zhao
{"title":"Influence of one-step enzymatic modification on the structure, physicochemical, and functional properties of dietary fiber from corn husk rich in (hemi)cellulose","authors":"Jing Xing,&nbsp;Zheng Zhang,&nbsp;Qinqin Zhao,&nbsp;Xuezhi Li,&nbsp;Jian Zhao","doi":"10.1016/j.ijbiomac.2025.144683","DOIUrl":"10.1016/j.ijbiomac.2025.144683","url":null,"abstract":"<div><div>This study systematically evaluated enzymatic modification of corn husks rich in hemicellulose using different sources of cellulases for producing soluble dietary fiber (SDF) by comparing the differences in yields and characteristics of obtained polysaccharides, thereby developing a novel one-step enzymatic modification process without starch and protein removal pretreatment that was commonly used in traditional enzymatic modification processes. It was shown that <em>Trichoderma reesei</em> cellulases showed a better modification effect than <em>Penicillium oxalicum</em> cellulases, especially <em>T. reesei</em> SCB-18 cellulase, producing high-yield SDF with superior physicochemical and structural characteristics and functional properties such as high water-holding capacity and adsorption capacities for cholesterol and nitrite ion, good thermal stability, low crystallinity, and molecular weight through this one-step process. Increased porous structure and functional groups in the SDFs, which were caused by the degradation of cellulose and hemicelluloses in corn husk, should partially explain the improvement in physicochemical and functional properties. This study also evaluated the physicochemical and functional properties of insoluble dietary fiber (IDF) obtained by this process. It provides a simple and feasible enzymatic modification process to produce SDF and IDF from corn husks efficiently and at a low cost, thereby realizing the high-value application of corn husks.</div></div>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":"317 ","pages":"Article 144683"},"PeriodicalIF":7.7,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144155363","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Starch and polyacrylic acid doped tin ferrite nanocubes for catalytic, water oxidation, and antimicrobial activities inhibiting DNA gyrase with molecular docking 淀粉和聚丙烯酸掺杂铁酸锡纳米立方的催化、水氧化和抗菌活性抑制DNA旋切酶与分子对接。
IF 7.7 1区 化学
International Journal of Biological Macromolecules Pub Date : 2025-06-01 DOI: 10.1016/j.ijbiomac.2025.144657
A Azam , Muhammad Ikram , Ali Haider , Anum Shahzadi , Sawaira Moeen , Anwar Ul-Hamid , Hameed Ullah , Ghazanfar Nazir , Muhammad Nisar , Hamdy Khamees Thabet , Ghafar Ali
{"title":"Starch and polyacrylic acid doped tin ferrite nanocubes for catalytic, water oxidation, and antimicrobial activities inhibiting DNA gyrase with molecular docking","authors":"A Azam ,&nbsp;Muhammad Ikram ,&nbsp;Ali Haider ,&nbsp;Anum Shahzadi ,&nbsp;Sawaira Moeen ,&nbsp;Anwar Ul-Hamid ,&nbsp;Hameed Ullah ,&nbsp;Ghazanfar Nazir ,&nbsp;Muhammad Nisar ,&nbsp;Hamdy Khamees Thabet ,&nbsp;Ghafar Ali","doi":"10.1016/j.ijbiomac.2025.144657","DOIUrl":"10.1016/j.ijbiomac.2025.144657","url":null,"abstract":"<div><div>The textile sector poses global pollution through the discharge of organic dyes and antibiotic-resistant pathogens present in the environment have a significant impact on the quality of water resources. The present work demonstrates different concentrations (2 and 4 wt%) of starch (St) and a fixed amount of polyacrylic acid (PAA) doped tin ferrite (SnFe<sub>2</sub>O<sub>4</sub>) nanocubes (NCs) prepared by co-precipitation route. The proposed approach has the potential to degrade rhodamine B (RhB) dye, oxygen evolution reaction (OER) activity, and resist the growth of Gram-negative multiple drug resistant (MDR) <em>Escherichia coli (E. coli)</em>, contributing to environmental remediation. XRD showed the multiple phases of SnFe<sub>2</sub>O<sub>4</sub> and crystallite size significantly increased from 35.79 to 42.09 nm, with the addition of dopants. TEM images revealed the cube-like structural morphology of SnFe<sub>2</sub>O<sub>4</sub> and doped samples exhibited the agglomerated NCs. The catalytic performance of 4 % St/PAA-SnFe<sub>2</sub>O<sub>4</sub> NCs towards Rhodamine B (RhB) was 73.33 % in a neutral medium. The better OER performance of 4 % St/PAA-SnFe<sub>2</sub>O<sub>4</sub> is attributed to lower overpotential, Tafel slope, and charge transfer resistance. Moreover, the highly doped sample highlighted strong bactericidal effectiveness for resistant <em>Escherichia coli (E. coli)</em> by showing a 6.45 ± 0.02 mm inhibition zone.</div></div>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":"317 ","pages":"Article 144657"},"PeriodicalIF":7.7,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144179578","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Transition metal-substituted phosphomolybdic acid catalysts for selective oxidative depolymerization of lignin to aromatic monomers 过渡金属取代磷钼酸催化剂在木质素选择性氧化解聚制芳香单体中的应用
IF 7.7 1区 化学
International Journal of Biological Macromolecules Pub Date : 2025-06-01 DOI: 10.1016/j.ijbiomac.2025.144875
Jiran Gao , Junyou Shi
{"title":"Transition metal-substituted phosphomolybdic acid catalysts for selective oxidative depolymerization of lignin to aromatic monomers","authors":"Jiran Gao ,&nbsp;Junyou Shi","doi":"10.1016/j.ijbiomac.2025.144875","DOIUrl":"10.1016/j.ijbiomac.2025.144875","url":null,"abstract":"<div><div>Lignin, a complex organic polymer, is an abundant biomass feedstock and among the limited natural aromatic compounds serving as chemical precursors. However, effectively depolymerizing lignin into aromatic compounds remains a significant challenge. In this research, we synthesized a range of transition metal-substituted polyoxometalate (POM) catalysts and investigated their feasibility in the oxidative depolymerization of larch lignin. By optimizing the reaction conditions, we obtained a variety of valuable aromatic compounds, including methyl vanillate and vanillin. Optimization studies identified the PMo<sub>11</sub>Fe catalyst as achieving maximum efficiency under 150 °C, 1.0 MPa O<sub>2</sub>, and 1:1 catalyst-to-lignin ratio conditions, which produced 11.39 wt% monomeric aromatic compounds. The catalyst demonstrated exceptional recyclability through five consecutive catalytic cycles while maintaining a depolymerization efficiency of &gt;85 %. This work establishes polyoxometalate-based catalytic systems as promising solutions for lignin valorization, advancing innovative strategies for sustainable biorefinery operations through selective biomass deconstruction.</div></div>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":"317 ","pages":"Article 144875"},"PeriodicalIF":7.7,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144195278","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Optimization, characterization, and molecular modelling of an acid and organic solvent-tolerant lipase isolated from Monascus pilosus as a potential detergent additive 从红曲霉中分离的酸和有机溶剂耐受性脂肪酶作为潜在的洗涤剂添加剂的优化、表征和分子建模
IF 7.7 1区 化学
International Journal of Biological Macromolecules Pub Date : 2025-06-01 DOI: 10.1016/j.ijbiomac.2025.144883
Mohamed M.M. Ahmed , Sherif F. Hammad , Ahmed L. Abdel-Mawgood
{"title":"Optimization, characterization, and molecular modelling of an acid and organic solvent-tolerant lipase isolated from Monascus pilosus as a potential detergent additive","authors":"Mohamed M.M. Ahmed ,&nbsp;Sherif F. Hammad ,&nbsp;Ahmed L. Abdel-Mawgood","doi":"10.1016/j.ijbiomac.2025.144883","DOIUrl":"10.1016/j.ijbiomac.2025.144883","url":null,"abstract":"<div><div>This research aimed to optimize, purify, and biochemically and structurally characterize an acid-stable and organic solvent-tolerant lipase from the fungus <em>Monascus pilosus</em>. Sequence alignment indicated that the fungus in this study exhibits a high similarity of 99.63 % with <em>M. pilosus</em> (NR 163510.1). Maximum lipase production (434.3 U/mL) was observed at pH 3 after five days of incubation at 30 °C. The structure analysis showed that the lipase belongs to the GXSXL family, and the Ser163, Asp224, and His250 residues construct the catalytic triad. Sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) estimated the molecular weight of lipase to be around 51 kDa. Maximum lipase activity was detected at pH 8 and 50 °C, recording an activity of 625.3 U/mL. This lipase is remarkably stable across a pH range of 1.5 to 9, with a 1.8-fold activity enhancement after 2-h of incubation at pH 1.5. The enzyme displayed considerable stability in chloroform, hexane, toluene, and dimethyl sulfoxide (DMSO), retaining over 85 % residual activity at a 10 % concentration. This novel acid and organic solvent-tolerant lipase can provide a sustainable solution for industrial detergent formulation and other environmentally friendly applications. This is the first report to isolate, purify, and characterize lipase from the genus <em>Monascus</em>.</div></div>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":"317 ","pages":"Article 144883"},"PeriodicalIF":7.7,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144195280","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Corrigendum to "Two Caffeoyl-CoA O-methyltransferase-like enzyme are involved in the biosynthesis of polymethoxyflavones in Citrus reticulata 'Chachiensis'" [Int. J. Biol. Macromol. 310 (Part 4) (May 2025) 143277]. 两种咖啡酰辅酶a o -甲基转移酶样酶参与柑桔‘Chachiensis’中多甲氧基黄酮的生物合成[Int.]生物。Macromol. 310 (Part 4)(2025年5月)[143277]。
IF 7.7 1区 化学
International Journal of Biological Macromolecules Pub Date : 2025-05-31 DOI: 10.1016/j.ijbiomac.2025.144708
Huimin Pan, Jianmu Su, Mei Bai, Meizhuang Chen, Zhuoyuan He, Ning Rong, Xitong Lin, Haiyang Wang, Hong Wu
{"title":"Corrigendum to \"Two Caffeoyl-CoA O-methyltransferase-like enzyme are involved in the biosynthesis of polymethoxyflavones in Citrus reticulata 'Chachiensis'\" [Int. J. Biol. Macromol. 310 (Part 4) (May 2025) 143277].","authors":"Huimin Pan, Jianmu Su, Mei Bai, Meizhuang Chen, Zhuoyuan He, Ning Rong, Xitong Lin, Haiyang Wang, Hong Wu","doi":"10.1016/j.ijbiomac.2025.144708","DOIUrl":"https://doi.org/10.1016/j.ijbiomac.2025.144708","url":null,"abstract":"","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"144708"},"PeriodicalIF":7.7,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144197924","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Modulating wine astringency: the role of mixed polysaccharides on tannin-protein interactions in model wine. 调节葡萄酒的涩味:混合多糖对模型酒中单宁-蛋白质相互作用的作用。
IF 7.7 1区 化学
International Journal of Biological Macromolecules Pub Date : 2025-05-30 DOI: 10.1016/j.ijbiomac.2025.144804
Yine Cheng, Yuefan Zhao, Shengnan Wang, Xu Zhang, Pengtao Zhao, Xiao Fu, Xiaoyu Wang
{"title":"Modulating wine astringency: the role of mixed polysaccharides on tannin-protein interactions in model wine.","authors":"Yine Cheng, Yuefan Zhao, Shengnan Wang, Xu Zhang, Pengtao Zhao, Xiao Fu, Xiaoyu Wang","doi":"10.1016/j.ijbiomac.2025.144804","DOIUrl":"https://doi.org/10.1016/j.ijbiomac.2025.144804","url":null,"abstract":"<p><p>Polysaccharides play a crucial role in modulating astringency in the wine industry. This research investigates how different concentrations of yeast-derived mannoproteins and plant-derived polysaccharides (green tea and mulberry) affect wine astringency caused by three types of tannins (condensed, mixed, and hydrolyzed). Using analyses such as fluorescence quenching, electrophoresis, dynamic light scattering, and sensory evaluations, we found that mulberry-derived polysaccharides, which are rich in proteins, feature an increased number of binding sites, displaying a heightened affinity for both tannins and proteins compared to green tea polysaccharides. At an addition amount of 0.2 g/L, all three polysaccharides demonstrate their peak ability to effectively diminish astringency. Moreover, incorporating a minor quantity (5 %) of plant polysaccharides augmented the capacity of mannoproteins to diminish astringency, with underlying molecular mechanisms differing based on the specific type of tannins. Specifically, mannoproteins combined with mulberry polysaccharides alleviated the astringency of condensed/hydrolyzed tannins through a competitive mechanism. On the other hand, mannoproteins combined with green tea polysaccharides reduced the astringency of mixed tannins via a competitive mechanism while also mitigating the astringency of condensed/hydrolyzed tannins through a binding mechanism.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"144804"},"PeriodicalIF":7.7,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144197863","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Properties and use of chitosan/clay nanocomposites for drug delivery: A review. 壳聚糖/粘土纳米复合材料在药物传递中的性能及应用综述。
IF 7.7 1区 化学
International Journal of Biological Macromolecules Pub Date : 2025-05-30 DOI: 10.1016/j.ijbiomac.2025.144700
Sreekanth Reddy Obireddy, Kaiyan Liu, Chong Yu, Dahong Zhang, Guo-Qing Wu, Wing-Fu Lai
{"title":"Properties and use of chitosan/clay nanocomposites for drug delivery: A review.","authors":"Sreekanth Reddy Obireddy, Kaiyan Liu, Chong Yu, Dahong Zhang, Guo-Qing Wu, Wing-Fu Lai","doi":"10.1016/j.ijbiomac.2025.144700","DOIUrl":"https://doi.org/10.1016/j.ijbiomac.2025.144700","url":null,"abstract":"<p><p>Clay minerals serve as both excipients and active ingredients in pharmaceutical formulations. Due to their swelling capacity and colloidal properties, they are also promising candidates for use in controlled drug release. Besides clay materials, chitosan also plays a crucial role in biomedical applications due to their biocompatibility and biodegradability. By using montmorillonite and halloysite as case examples, this review provides valuable insights into the distinctive characteristics of clay materials, exploring the potential use of their nanocomposites formed with chitosan in drug delivery. It first outlines the fundamental properties of clay materials, followed by a discussion of key fabrication methods for chitosan/clay nanocomposites. Finally, recent advances in the development of carriers based on chitosan/clay nanocomposites and their pharmaceutical performance are discussed. Directions for future research are also highlighted. It is hoped that this article could provide a snapshot of the current understanding of the properties and use of chitosan/clay nanocomposites as drug carriers and offer insights into the future potential of clay mineral hybrids in pharmaceutical applications.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"144700"},"PeriodicalIF":7.7,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144197864","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Repurposing dual-C-prenylated flavonoids as potent allosteric inhibitors of PTP1B: Integrated phytochemical, enzymological, and in silico evidence 重新利用双c -烯丙基化类黄酮作为PTP1B的有效变抗抑制剂:综合植物化学,酶学和硅证据
IF 7.7 1区 化学
International Journal of Biological Macromolecules Pub Date : 2025-05-30 DOI: 10.1016/j.ijbiomac.2025.144808
Emadeldin M. Kamel , Sally Mostafa Khadrawy , Ahmed A. Allam , Sarah I. Othman , Doaa A. Abdelrheem , Faris F. Aba Alkhayl , Al Mokhtar Lamsabhi
{"title":"Repurposing dual-C-prenylated flavonoids as potent allosteric inhibitors of PTP1B: Integrated phytochemical, enzymological, and in silico evidence","authors":"Emadeldin M. Kamel ,&nbsp;Sally Mostafa Khadrawy ,&nbsp;Ahmed A. Allam ,&nbsp;Sarah I. Othman ,&nbsp;Doaa A. Abdelrheem ,&nbsp;Faris F. Aba Alkhayl ,&nbsp;Al Mokhtar Lamsabhi","doi":"10.1016/j.ijbiomac.2025.144808","DOIUrl":"10.1016/j.ijbiomac.2025.144808","url":null,"abstract":"<div><div>Protein-tyrosine phosphatase 1B (PTP1B) is a master negative regulator of insulin and leptin signaling, yet clinically useful inhibitors remain elusive. Guided by a repurposing strategy, we investigated <em>Tephrosia villosa</em> as a natural source of PTP1B modulators. Chromatographic fractionation of the aerial parts afforded nine flavonoids and related phenolics, whose structures were elucidated by spectroscopic tools. Enzymatic screening revealed that the diprenylated isoflavonoids 6,8-diprenylgenistein and 6,8-diprenylnaringenin inhibit recombinant PTP1B with sub-micromolar potency (IC₅₀ ≈ 1 μM) and non-competitive kinetics, outperforming the reference inhibitor ursolic acid six-fold. Molecular docking and 200 ns molecular dynamics simulations located both ligands in the hydrophobic α3/α7 allosteric pocket, where dual C-prenyl chains engage an aromatic clamp formed by Phe196 and Phe280; MM/PBSA binding energies (≈ −30 kcal mol<sup>−1</sup>) and a single deep free-energy basin corroborate tight, entropy-driven binding that locks the WPD loop open. Free energy landscape analysis funnels these trajectories into a single deep basin, confirming that ligand binding rigidifies the WPD-loop in an open, catalytically inactive conformation. ADMET predictions show high oral absorption, no Lipinski violations and minimal cardiotoxic or hepatotoxic risk, positioning 6,8-diprenylgenistein as a promising lead scaffold. This integrated phytochemical, biochemical and computational study uncovers <em>T. villosa</em> as a rich source of allosteric PTP1B inhibitors and highlights diprenylated flavonoids as tractable starting points for antidiabetic and anti-obesity drug development.</div></div>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":"316 ","pages":"Article 144808"},"PeriodicalIF":7.7,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144167908","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
THY1 inhibits the replication of ALV - J by diverting chNHE1 for proteasomal degradation. THY1通过转移chNHE1进行蛋白酶体降解来抑制ALV - J的复制。
IF 7.7 1区 化学
International Journal of Biological Macromolecules Pub Date : 2025-05-30 DOI: 10.1016/j.ijbiomac.2025.144816
Qinxi Chen, Xueli Shu, Hongmei Wang, Qiuyun Peng, Weibin Wang, Tong Su, Wanyi Zhou, Ke Wei, Xiaoxue Zheng, Qi Li, Weisheng Cao
{"title":"THY1 inhibits the replication of ALV - J by diverting chNHE1 for proteasomal degradation.","authors":"Qinxi Chen, Xueli Shu, Hongmei Wang, Qiuyun Peng, Weibin Wang, Tong Su, Wanyi Zhou, Ke Wei, Xiaoxue Zheng, Qi Li, Weisheng Cao","doi":"10.1016/j.ijbiomac.2025.144816","DOIUrl":"https://doi.org/10.1016/j.ijbiomac.2025.144816","url":null,"abstract":"<p><p>Avian leukosis virus subgroup J (ALV-J) induces myelocytoma and immunosuppression in infected chickens, thereby severely affecting the global poultry industry. Viruses generally utilize the host cellular machinery for their own replication. However, the interaction relationships between ALV-J and host proteins remain poorly understood. Thymocyte differentiation antigen 1 (THY1), a glycoprotein on the cell surface, plays a vital role in chicken memory. In this study, we investigated the tissue and cell distribution of THY1 in ALV-J-negative and ALV-J-positive chickens as well as in DF-1 cells, and explored the mechanism by which THY1 regulates ALV-J replication. We observed that the mRNA level of THY1 was the highest in the brain of ALV-J-negative chickens and in the lung tissue of ALV-J-positive chickens, respectively. Additionally, ALV-J infection of DF-1 cells had no impact on the distribution of THY1 in the cell membrane and cytoplasm. Moreover, the study revealed that THY1 suppresses ALV-J replication mainly by diverting its receptor, Na<sup>+</sup>/H<sup>+</sup> exchanger type 1 (chNHE1), through interacting with chNHE1 and targeting it for proteasome-mediated degradation. This study is the first to report that a host protein inhibits ALV-J replication by influencing its receptor protein. This study provides valuable insights into the molecular mechanisms underlying ALV-J replication.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"144816"},"PeriodicalIF":7.7,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144197866","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信