International Journal of Biological Macromolecules最新文献_第4页

Construction of colon-specific Pickering emulsions with rhein-chitosan conjugated nanoparticles as emulsifier and its application in murine ulcerative colitis. 以大黄聚糖-壳聚糖共轭纳米颗粒为乳化剂的结肠特异性皮克林乳剂的构建及其在小鼠溃疡性结肠炎中的应用。

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-06-18 DOI: 10.1016/j.ijbiomac.2025.145349

Jingjing Niu, Meng Wang, Yinxiong Wang, Bowen Yang, Bo Zhang, Min An, Anqi Lin, Lingxiao Li, Lihong Liu, Zhigang Yang, Yanbin Shi

{"title":"Construction of colon-specific Pickering emulsions with rhein-chitosan conjugated nanoparticles as emulsifier and its application in murine ulcerative colitis.","authors":"Jingjing Niu, Meng Wang, Yinxiong Wang, Bowen Yang, Bo Zhang, Min An, Anqi Lin, Lingxiao Li, Lihong Liu, Zhigang Yang, Yanbin Shi","doi":"10.1016/j.ijbiomac.2025.145349","DOIUrl":"https://doi.org/10.1016/j.ijbiomac.2025.145349","url":null,"abstract":"<p><p>Rhein demonstrates therapeutic advantages in ulcerative colitis treatment through multi-target synergy and multi-pathways, yet its clinical application is limited by poor oral bioavailability due to low solubility and poor medication compliance caused by gastrointestinal irritation. The study constructed a composite oral colon-specific delivery system based on rhein-loaded Pickering emulsions (Rhein@Rh-CS/TPP PEs), in which rhein-chitosan conjugated nanoparticles (Rh-CS/TPP NPs) serving as emulsifier, aiming to enhance rhein' bioavailability, improve its anti-ulcerative colitis efficacy, and reduce side effects. Briefly, rhein was covalently modified onto chitosan to increase hydrophobicity of chitosan, then the synthesized Rh-CS/TPP NPs were served as solid particle emulsifier. The resulting Rhein@Rh-CS/TPP PEs were verified as an oral delivery system with pH-responsive, enzyme-triggered, and bioadhesive properties for colon-specific and sustained release. Rhein exerted synergistic anti-ulcerative colitis effects by inhibiting TLR4/NF-κB/MLCK pathway activation and up-regulating tight junction proteins ZO-1, claudin-3 and occludin. Additionally, the Pickering emulsions significantly improved rhein' bioavailability while mitigating intestinal irritation-induced nutrient loss. The work provides a new strategy for the safe and effective application of insoluble intestinal stimulant drugs in the treatment of ulcerative colitis.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"145349"},"PeriodicalIF":7.7,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144336146","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

pH sensitive loading and release of doxorubicin by chitosan-graphene quantum dots hybridized material. 壳聚糖-石墨烯量子点杂化材料对阿霉素的pH敏感加载与释放。

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-06-18 DOI: 10.1016/j.ijbiomac.2025.145375

Hao Ren, Jiahao Xu, Yuanqiu Lai, Ruru Xu, Jiachen Li, Jia-Wei Shen, Jiang-Xing Chen

{"title":"pH sensitive loading and release of doxorubicin by chitosan-graphene quantum dots hybridized material.","authors":"Hao Ren, Jiahao Xu, Yuanqiu Lai, Ruru Xu, Jiachen Li, Jia-Wei Shen, Jiang-Xing Chen","doi":"10.1016/j.ijbiomac.2025.145375","DOIUrl":"https://doi.org/10.1016/j.ijbiomac.2025.145375","url":null,"abstract":"<p><p>The effective delivery of doxorubicin (DOX) to tumor tissues remains a significant challenge in cancer therapy. In this study, molecular dynamics (MD) simulations were employed to investigate the loading and release mechanisms of DOX in chitosan-graphene quantum dots (GQDs) complexes under varying pH levels and DOX concentrations. The results show that chitosan aggregates at basic pH, thereby enhancing DOX encapsulation via hydrogen bonding. Meanwhile, GQDs exhibit higher DOX capture efficiency at acidic pH via π-π stacking interactions. At higher DOX concentrations, self-aggregation of DOX molecules reduces their availability for interaction with chitosan and GQDs, leading to decreased encapsulation efficiency. Furthermore, our simulations mimicking the pH transition from a neutral to an acidic tumor-like environment show that chitosan disperses in solution, leading to the sensitive release of DOX. These findings demonstrate that the controllable loading and release of DOX by chitosan-GQDs hybridized material can be achieved by adjusting the solution pH (the protonation state of chitosan) and the concentration of DOX.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"145375"},"PeriodicalIF":7.7,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144336170","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

Chitosan nanoparticles alleviate nanoplastics toxicity by modulating polyamine metabolism and re-establishing redox homeostasis in maize seedlings 壳聚糖纳米颗粒通过调节玉米幼苗多胺代谢和重建氧化还原稳态来减轻纳米塑料的毒性

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-06-18 DOI: 10.1016/j.ijbiomac.2025.145384

Ke Feng , Jing Li , Zhen Chen , Tao Zhang , Xin Yin , Yijia Zhao , Xiaoxiao Yang , Xie Song , Shuqi Dong , Yinyuan Wen , Pingyi Guo , Yuguo Wang , Juan Zhao , Xiangyang Yuan , Jianhong Ren

{"title":"Chitosan nanoparticles alleviate nanoplastics toxicity by modulating polyamine metabolism and re-establishing redox homeostasis in maize seedlings","authors":"Ke Feng , Jing Li , Zhen Chen , Tao Zhang , Xin Yin , Yijia Zhao , Xiaoxiao Yang , Xie Song , Shuqi Dong , Yinyuan Wen , Pingyi Guo , Yuguo Wang , Juan Zhao , Xiangyang Yuan , Jianhong Ren","doi":"10.1016/j.ijbiomac.2025.145384","DOIUrl":"10.1016/j.ijbiomac.2025.145384","url":null,"abstract":"<div><div>As an emerging pollutant, nanoplastics have the potential to negatively affect plant growth and nutrient absorption, ultimately resulting in reduced yield. Chitosan nanoparticles (CSNPs), a sustainable polymeric material, has been shown to improve resistance to various stressors. This study aims to elucidate the potential mechanisms by which CSNPs may alleviate the toxicity of polystyrene nanoplastics (PSNPs) in maize plants. The results demonstrate that CSNPs treatment significantly reduced PSNPs accumulation in maize leaf and root tissues by 32.1 % to 56.2 % (<em>P</em> < 0.05) compared to PSNPs exposure alone. Furthermore, CSNPs alleviated PSNPs induced phytotoxicity, as evidenced by increases in chlorophyll content, leaf area index, and photosynthetic rate by 108.7 %, 29.4 %, and 70.0 %, respectively, ultimately leading to a 72 % increase in total plant dry weight. Additionally, CSNPs systematically upregulated the expression of genes involved in polyamine biosynthesis, increased the activities of related enzymes, and inhibited the activities of polyamine degradation enzymes, resulting in a 36.6 % increase in total polyamine content. Additionally, CSNPs decreased the accumulation of reactive oxygen species and lipid peroxidation caused by PSNPs stress by modulating the antioxidant system. Collectively, our findings indicate that CSNPs mitigated the adverse effects of PSNPs on maize plants by regulating polyamine metabolism and reestablishing redox homeostasis.</div></div>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":"319 ","pages":"Article 145384"},"PeriodicalIF":7.7,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144330277","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

Deposition of alginate-oregano nanofibres on cotton gauze for potential antimicrobial applications 海藻酸盐-牛至纳米纤维在棉纱上的沉积及其潜在的抗菌应用

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-06-18 DOI: 10.1016/j.ijbiomac.2025.145372

Abimbola Oluwatayo Orisawayi , Hao Lu , Ishrat Jahan Badruddin , Prabhuraj D. Venkatraman , Nicole S. Britten , Jonathan A. Butler , Krzysztof Koziol , Sameer S. Rahatekar

{"title":"Deposition of alginate-oregano nanofibres on cotton gauze for potential antimicrobial applications","authors":"Abimbola Oluwatayo Orisawayi , Hao Lu , Ishrat Jahan Badruddin , Prabhuraj D. Venkatraman , Nicole S. Britten , Jonathan A. Butler , Krzysztof Koziol , Sameer S. Rahatekar","doi":"10.1016/j.ijbiomac.2025.145372","DOIUrl":"10.1016/j.ijbiomac.2025.145372","url":null,"abstract":"<div><div>In this study, we developed an innovative natural antibacterial medical bandage composed of electrospun nanofibres derived from alginate (SAg) and oregano essential oil (OEO). The nanofibre deposition process was systematically optimised, achieving a controlled evolution of fibre formation at intervals of 1, 2, 3, 4, and 8 h. Over time, fibre morphology has changed from a dispersed network to a densely packed, homogeneous, fibrous, fully embedding cotton gauze nanofibre. Scanning Electron Microscopy (SEM) revealed nanofibres with diameters ranging from 100 to 300 nm, 46 % measuring 100–200 nm, 37 % at 200–300 nm, and 14 % between 300 and 400 nm. Thermogravimetric Analysis (TGA) confirmed improved thermal stability in cross-linked samples. At the same time, Fourier Transform Infrared Spectroscopy (FTIR) shows the incorporation of OEO into the nanofibres shows OEO carvacrol, and thymol. Antibacterial efficacy tested inhibition zone assays against Methicillin-resistant <em>Staphylococcus aureus</em> (MRSA) and <em>Listeria monocytogenes</em> on double-layered bandages is 15 mm and 10 mm, respectively. Statistical analysis results from ANOVA confirmed that multi-layered bandages (TL-BSS) had significantly enhanced antibacterial activity compared to single-layered (SSS) and both-sided spun (BSS) configurations. Unlike conventional wound dressings, this study introduces a bioactive, nanofibre-integrated gauze with sustained antibacterial efficacy.</div></div>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":"319 ","pages":"Article 145372"},"PeriodicalIF":7.7,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144330662","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

Structural analysis of M. tuberculosis EccC1 and its complex with EsxAB virulence factor using X-ray crystallography, molecular docking, and dynamics simulation techniques. 利用x射线晶体学、分子对接和动力学模拟技术分析结核分枝杆菌EccC1及其与EsxAB毒力因子复合物的结构。

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-06-18 DOI: 10.1016/j.ijbiomac.2025.145279

Ajay K Saxena, Anshuman Chandra, Swati Srivastava, Ramesh Kumar

{"title":"Structural analysis of M. tuberculosis EccC1 and its complex with EsxAB virulence factor using X-ray crystallography, molecular docking, and dynamics simulation techniques.","authors":"Ajay K Saxena, Anshuman Chandra, Swati Srivastava, Ramesh Kumar","doi":"10.1016/j.ijbiomac.2025.145279","DOIUrl":"https://doi.org/10.1016/j.ijbiomac.2025.145279","url":null,"abstract":"<p><p>M. tuberculosis ESX-1 system secretes virulence factors into host macrophages during infection, however, the mechanism of secretion is currently unknown. Here, we have determined the crystal structure of MtbEccCb1-D2 protein (Leu34-Ser313 residues, Mw ~ 31.4 kDa) in complex with ATPγS and Mg<sup>2+</sup>, which adopts a classical Ftsk/SpoEIII type fold. The EccCb1-D2 showed two melting temperatures, Tm1 at 37.64 ± 0.08 °C and Tm2 at 65.85 ± 0.12 °C, during the unfolding pathway. Modeled ∆EccC1 and ∆EccC1 + EsxAB hexamers showed a channel (~34 Å) involved in EsxAB (~29 Å) translocation toward the inner membrane. At the entrance gate of the channel, the LxxxMxF motif of the EsxB export arm binds to the substrate binding pocket of the EccCb1-D3 protein. Inside the channel, the PL-1 and PL-2 pore loops, close to the α7-helix and the loop between β8-β9 strands in EccCa1-D1, EccCb1-D2, and EccCb1-D3 may be involved in EsxAB factor translocation. Stability, fluctuation, and compactness parameters in 100 ns dynamics simulation analysis showed the highest flexibility in ΔEccCa1, ∆EccC1, and ∆EccC1 + EsxAB hexamers and stability in ΔEccCb1 hexamer. Our EccCb1-D2 structure and dynamics simulation analysis on four modeled systems have revealed the mechanism involved in EsxAB translocation, a key target for the development of antivirulence inhibitors against M. tuberculosis.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"145279"},"PeriodicalIF":7.7,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144336175","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

Characterization of improved sugarcane wax-based oleogels based on bovine bone proteins and their application as solid fat substitutes in cookies. 改良甘蔗蜡基牛骨蛋白油凝胶的表征及其在饼干中作为固体脂肪替代品的应用。

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-06-18 DOI: 10.1016/j.ijbiomac.2025.145385

Wenjing Shi, Jingya Chen, Yazhi Liu, Jinling Wang, Ziyang Wang, Haotian Cui, Shiling Lu, Qingling Wang, MingXiang Tang

{"title":"Characterization of improved sugarcane wax-based oleogels based on bovine bone proteins and their application as solid fat substitutes in cookies.","authors":"Wenjing Shi, Jingya Chen, Yazhi Liu, Jinling Wang, Ziyang Wang, Haotian Cui, Shiling Lu, Qingling Wang, MingXiang Tang","doi":"10.1016/j.ijbiomac.2025.145385","DOIUrl":"https://doi.org/10.1016/j.ijbiomac.2025.145385","url":null,"abstract":"<p><p>To clarify the role of bovine bone protein (BBP) as a gelling agent in wax-based oleogels, composite oleogels were developed using BBP composite sugarcane wax (SW) as a gelling agent and grapeseed oil (GSO) as base oil, and the effects of substituting margarine (MG) in different ratios on cookies were investigated. Fourier transform infrared spectroscopy analysis revealed that only physical cross-linking existed between GSO and the gelling agent. All samples demonstrated sol-gel thermodynamic behavior in rheological scanning, and adding 1 %-2 % BBP enhanced the rheological properties of the oleogel. The oil-holding rate of oleogels reached 100 % at a ≥ 2 % BBP content. XRD analysis demonstrated that 2 % BBP addition promoted β'-crystal formation. These findings highlight that optimal improvement in the SW oleogel was achieved at 2 % BBP addition. The optimized oleogel was then mixed with MG at different ratios, revealing that a higher amount of oleogel substitution promoted the formation of a uniform and dense crystalline network and increased the thermal stability of the blends. MG exhibited the highest oxidative stability during the storage period, followed closely by the blends with a compounding ratio of 1:3. The substitution of high levels of oleogel weakened the cookies' texture and sensation compared to MG cookies. However, the 25 % substitution of MG produced desirable overall acceptance. In conclusion, BBP-SW oleogel demonstrated good potential for MG substitution, with the best results obtained at 25 % substitution. This study contributes to alleviating health problems associated with baked goods and provides a new alternative for solid fat replacement.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"145385"},"PeriodicalIF":7.7,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144336145","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

Reduction mechanism of XOR-mediated nitroaromatics hypoxia targeted AGT inhibitors: Molecular docking, MD simulation and ONIOM (QM/MM) investigation xor介导的硝基芳香族缺氧靶向AGT抑制剂的还原机制：分子对接、MD模拟和ONIOM （QM/MM）研究

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-06-17 DOI: 10.1016/j.ijbiomac.2025.145344

Jiaojiao Wang, Ting Ren, Guohui Sun, Na Zhang, Lijiao Zhao, Rugang Zhong

{"title":"Reduction mechanism of XOR-mediated nitroaromatics hypoxia targeted AGT inhibitors: Molecular docking, MD simulation and ONIOM (QM/MM) investigation","authors":"Jiaojiao Wang, Ting Ren, Guohui Sun, Na Zhang, Lijiao Zhao, Rugang Zhong","doi":"10.1016/j.ijbiomac.2025.145344","DOIUrl":"10.1016/j.ijbiomac.2025.145344","url":null,"abstract":"<div><div>Hypoxia-activated nitroaromatic compounds represent a promising strategy for developing tumor-targeted <em>O</em><sup>6</sup>-alkylguanine-DNA alkyltransferase (AGT) inhibitors, crucial for enhancing alkylating agent efficacy in cancer therapy. In this study, we investigated the reduction mechanisms of two hypoxia-activated AGT inhibitors, 2-nitro-6-benzyloxypurine (2-NBP) and <em>O</em><sup>6</sup>-(3-nitro)benzylguanine (3-NBG), mediated by xanthine oxidoreductase (XOR) using molecular docking, molecular dynamics (MD) simulations, and quantum mechanics/molecular mechanics (QM/MM) calculations. Docking revealed that both inhibitors bind XOR's active site, with their nitroaromatic rings stacking over the flavin's isoalloxazine ring, mainly through hydrophobic interactions. MD simulations revealed 2-NBP bound XOR more favorably than 3-NBG. QM/MM calculations elucidated the individual reduction mechanisms of both inhibitors, involving six 1e<sup>−</sup>/1H<sup>+</sup> transfers. The key differences lay in the lower energy barriers for 2-NBP in the first, third, and sixth steps compared to 3-NBG. Combined with MD simulation results, the QM/MM computations demonstrated that 2-NBP was more readily reduced by XOR than 3-NBG, despite the rate-limiting step (the fifth 1e<sup>−</sup>/1H<sup>+</sup> transfer) of 3-NBG reduction exhibiting slightly more favorable in kinetics and thermodynamics than 2-NBP. Additionally, a water molecule in the active site was found to facilitate the second 1e<sup>−</sup>/1H<sup>+</sup> transfer, reducing the energy barrier significantly. This work provided a theoretical basis for designing tumor-targeted AGT inhibitors.</div></div>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":"319 ","pages":"Article 145344"},"PeriodicalIF":7.7,"publicationDate":"2025-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144335714","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

Functional hydroxypropyl methyl cellulose-based thermosensitive hydrogels: Biomineralization, procoagulant and antibacterial properties 功能性羟丙基甲基纤维素热敏水凝胶：生物矿化，促凝剂和抗菌性能

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-06-17 DOI: 10.1016/j.ijbiomac.2025.145325

Yirui Lv , Xiao Fu , Chengyu Yang , Ping Yin , Ting Lei

{"title":"Functional hydroxypropyl methyl cellulose-based thermosensitive hydrogels: Biomineralization, procoagulant and antibacterial properties","authors":"Yirui Lv , Xiao Fu , Chengyu Yang , Ping Yin , Ting Lei","doi":"10.1016/j.ijbiomac.2025.145325","DOIUrl":"10.1016/j.ijbiomac.2025.145325","url":null,"abstract":"<div><div>Functional composite hydrogels with antibacterial, biomineralization and hemostatic properties are prepared based on thermosensitive hydrogel composed of hydroxypropyl methylcellulose (HPMC), hyaluronic acid (HA), and glycerol (Gl) as matrix (HHG) and incorporation of copper‑iron layered double hydroxides (CuFe-LDH) as an antimicrobial agent, hydroxyapatite (HAP) as a bone-inductive component or carboxymethyl chitosan powder (CMCS) as the natural hemostatic. The HHG/CuFe-LDH/HAP composite hydrogels significantly reduced the gelation time of pure HHG hydrogel to 5 min and exhibited excellent biomineralization activity and significantly antibacterial efficacy against <em>S. aureus</em> and <em>E. coli</em> even at a CuFe-LDH/HAP content of as low as 0.1 % (<em>w</em>/<em>v</em>). Among the three formulations with varying CuFe-LDH/HAP ratios, HHG/CuFe-LDH/HAP-1 demonstrated the most favorable overall performance. Furthermore, HHG/CuFe-LDH/CMCS composite hydrogel effectively promoted both extrinsic and intrinsic coagulation pathways, demonstrating rapid and efficient hemostatic capabilities in addition to its excellent antibacterial activity. These findings suggest that both HHG/CuFe-LDH/HAP and HHG/CuFe-LDH/CMCS-based thermo-sensitive hydrogels with multifunctional properties are promising biomaterials for biomedical applications in injectable dental fillers, oral tissue repair, infection control and wound dressings, presents a promising strategy for developing novel hydrogels with multifunctionality.</div></div>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":"318 ","pages":"Article 145325"},"PeriodicalIF":7.7,"publicationDate":"2025-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144314153","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

Molecular dynamics to explore the neutralizing efficacy and mechanisms of SARS-CoV-2 antibodies against single-point mutations 利用分子动力学方法探讨SARS-CoV-2抗体对单点突变的中和效果及机制

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-06-17 DOI: 10.1016/j.ijbiomac.2025.145340

Xinkang Huan, Min Li, Hongwei Gao

{"title":"Molecular dynamics to explore the neutralizing efficacy and mechanisms of SARS-CoV-2 antibodies against single-point mutations","authors":"Xinkang Huan, Min Li, Hongwei Gao","doi":"10.1016/j.ijbiomac.2025.145340","DOIUrl":"10.1016/j.ijbiomac.2025.145340","url":null,"abstract":"<div><div>Coronavirus Disease-2019 (COVID-19) is a respiratory disease caused by the Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) with a high infectious rate. Due to the easy mutation of SARS-CoV-2, the continuous emergence of SARS-CoV-2 variants not only makes the new coronavirus more contagious but also poses a considerable obstacle to the treatment of COVID-19. In this study, the computer-aided drug design method was used to explore the effects of mutations on the neutralizing efficacy and mechanism of Amubarvimab and Romlusevimab. Our experimental data show that Amubarvimab and Romlusevimab can effectively neutralize wild-type SARS-CoV-2, and the latter has a more substantial neutralizing effect. The binding effect depends on rich hydrogen bonds, electrostatic interactions, and the van der Waals interaction network, and Romlusevimab also depends on a strong salt bridge. In the face of six single point mutations K417N, L452R, E484K, F486L, Q498Y, and N501Y, Amubarvimab can show a stable and excellent neutralizing effect. In contrast, the Q498Y and N501Y mutations reduced Romlusevimab binding more significantly than the other four mutations studied. The cause of this phenomenon is the deformation of RBD and the reduction in the number of non-covalent bonds. This study evaluated the efficacy of Amubarvimab and Romlusevimab in neutralizing SARS-CoV-2 and its variants, elucidated the molecular mechanisms, and provided theoretical guidance for developing and modifying antibodies.</div></div>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":"319 ","pages":"Article 145340"},"PeriodicalIF":7.7,"publicationDate":"2025-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144330278","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

Oyster polysaccharides alleviate cyclophosphamide-induced immunosuppression in mice by modulating lymphocytes profile and maintaining intestinal homeostasis 牡蛎多糖通过调节淋巴细胞分布和维持肠道内稳态来缓解环磷酰胺诱导的小鼠免疫抑制

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-06-17 DOI: 10.1016/j.ijbiomac.2025.145273

Jinhui Jia , Yunqi Gu , Chunhong Yan , Jian Guo , Xiaodong Xia

{"title":"Oyster polysaccharides alleviate cyclophosphamide-induced immunosuppression in mice by modulating lymphocytes profile and maintaining intestinal homeostasis","authors":"Jinhui Jia , Yunqi Gu , Chunhong Yan , Jian Guo , Xiaodong Xia","doi":"10.1016/j.ijbiomac.2025.145273","DOIUrl":"10.1016/j.ijbiomac.2025.145273","url":null,"abstract":"<div><div>Oyster polysaccharides (OPS) have garnered growing attention due to their anti-inflammatory, antioxidant, and gut microbiota-modulating properties. However, the underlying immunomodulatory mechanisms of OPS remain incompletely elucidated. This study aimed to investigate the effects of OPS on immune function of mice with cyclophosphamide (Cy)-induced immunosuppression. OPS effectively modulated immune cell profiles in both spleen and intestinal tissues, significantly increased the percentages of CD4<sup>+</sup> and CD8<sup>+</sup> T cells and repaired intestinal mucosal damage. Furthermore, OPS enhanced the secretion of intestinal immune cytokines by activating MAPK signaling pathway, leading to notable increases in IL-2 (from 44.25 ± 17.39 to 82.56 ± 17.50 pg/mL), IFN-γ (from 176.05 ± 28.08 to 308.71 ± 53.75 pg/mL), IL-1β (from 35.74 ± 6.17 to 54.12 ± 4.54 pg/mL), and TNF-α (from 117.06 ± 8.34 to 241.46 ± 66.11 pg/mL). Additionally, OPS ameliorated Cy-induced intestinal microbiota dysbiosis by significantly boosting the relative abundance of beneficial bacteria, including <em>Ligilactobacillus</em>, <em>Alloprevotella</em>, <em>Odoribacter</em>, and <em>Alistipes</em>. Meanwhile, OPS upregulated levels of key intestinal metabolites such as short-chain fatty acids, glycine, and imidazoleacetic acid. These findings indicate that OPS could improved Cy-induced immunosuppression and modulate gut microbiota, which highlights its potential as a promising candidate for novel immunoregulatory agents.</div></div>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":"319 ","pages":"Article 145273"},"PeriodicalIF":7.7,"publicationDate":"2025-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144321202","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}

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