International Journal of Biological Macromolecules最新文献_第9页

Effects of isolation methods on physicochemical properties of defatted starch from the acorn (Quercus brantii).

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-04-01 Epub Date: 2025-01-23 DOI: 10.1016/j.ijbiomac.2025.140300

Sepideh Erfan, Roya Abka-Khajouei, Javad Keramat, Nasser Hamdami

{"title":"Effects of isolation methods on physicochemical properties of defatted starch from the acorn (Quercus brantii).","authors":"Sepideh Erfan, Roya Abka-Khajouei, Javad Keramat, Nasser Hamdami","doi":"10.1016/j.ijbiomac.2025.140300","DOIUrl":"10.1016/j.ijbiomac.2025.140300","url":null,"abstract":"This study explores the innovative combined effects of alkaline isolation with ultrasound pretreatment on the physicochemical properties of acorn (Quercus brantii) starch. The optimal pH for maximizing the yield of alkaline-isolated acorn starch (AAS) was determined, followed by comparison with alkaline-isolated defatted acorn starch (ADAS), ultrasound-pretreated acorn starch (UAS), and ultrasound-pretreated defatted acorn starch (UDAS). The results demonstrated substantial improvements in yield and purity, with the highest yield (68.97 ± 0.16 %) achieved at pH 9. ADAS showed high purity, with protein and fat contents of 1.82 ± 0.07 % and 0.025 ± 0.02 %, respectively. UDAS exhibited superior swelling power, solubility, and turbidity, indicating enhanced functional properties. Scanning Electron Microscopy (SEM) revealed variations in granule sizes across treatments, from 12.42 μm (ADAS) to 10.72 μm (UDAS). X-ray diffraction analysis showed C-type patterns with crystallinity ranging from 31.25 % (ADAS) to 26 % (UAS). Thermal analysis demonstrated UDAS had the highest peak viscosity and lowest thermal parameters. Texture analysis indicated that AAS formed a softer gel, while ADAS displayed greater hardness and gumminess. These findings highlight the effectiveness of combining alkaline isolation with ultrasound pretreatment to improve acorn starch quality for sustainable applications in food and biotechnology.","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"140300"},"PeriodicalIF":7.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143035450","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

Label-free electrochemical immunoassay for ultra-sensitive detection of PSA utilizing gold nanoparticles/polyhedral hollow CoCu bimetallic sulfide nanostructure as a dual signal amplification platform.

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-04-01 Epub Date: 2025-01-28 DOI: 10.1016/j.ijbiomac.2025.140307

Mozhgan Shohani, Marzieh Sadeghi, Hosna Ehzari

{"title":"Label-free electrochemical immunoassay for ultra-sensitive detection of PSA utilizing gold nanoparticles/polyhedral hollow CoCu bimetallic sulfide nanostructure as a dual signal amplification platform.","authors":"Mozhgan Shohani, Marzieh Sadeghi, Hosna Ehzari","doi":"10.1016/j.ijbiomac.2025.140307","DOIUrl":"10.1016/j.ijbiomac.2025.140307","url":null,"abstract":"This study introduces the development of a highly sensitive label-free electrochemical immunosensor specifically designed to detect prostate-specific antigen (PSA). A glassy carbon electrode (GCE) coated with Au nanoparticles/polyhedral hollow CoCu bimetallic sulfide (CuCo2S4) was employed as a sensing interface for the fixation of the monoclonal anti-PSA antibody. The nanoarchitectures enhanced the capacity for loading prostate-specific antibodies (Ab) and effectually boosted electrical conductivity leading to enhance the electrochemical signal and greater sensitivity for the detection of PSA. The electrochemical behavior of the engineered sensor was researched via cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and differential pulse voltammetry (DPV). The response of the fabricated immunosensor manifested a linearized correlation with PSA concentration, spanning from 50.0 fg/ml to 500.0 ng/ml, with a minimal detection limit (DPV: 19.0 fg/ml, EIS: 14.0 fg/ml) and superior stability. The morphological and structural features of the engineered nanomaterials were analyzed using a range of techniques, including field emission scanning electron microscopy (FESEM), energy dispersive X-ray analysis (EDX), X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FTIR). The proposed immunosensor was utilized for the meticulous and ultra-sensitive analysis of PSA levels in serum specimens, providing results that align satisfactorily with those from the enzyme-linked immunosorbent assay (ELISA) the benchmark protocol. In conclusion, these outcomes underscore the potential utility of the developed immunosensor for prostate cancer screening in its initial stages.","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"140307"},"PeriodicalIF":7.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143062754","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

PmiProPred: A novel method towards plant miRNA promoter prediction based on CNN-Transformer network and convolutional block attention mechanism.

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-04-01 Epub Date: 2025-02-03 DOI: 10.1016/j.ijbiomac.2025.140630

Haibin Li, Jun Meng, Zhaowei Wang, Yushi Luan

{"title":"PmiProPred: A novel method towards plant miRNA promoter prediction based on CNN-Transformer network and convolutional block attention mechanism.","authors":"Haibin Li, Jun Meng, Zhaowei Wang, Yushi Luan","doi":"10.1016/j.ijbiomac.2025.140630","DOIUrl":"10.1016/j.ijbiomac.2025.140630","url":null,"abstract":"It is crucial to understand the transcription mechanisms of miRNAs, especially considering the presence of peptides encoded by miRNAs. Since promoters function as the switch for gene transcription, precisely identifying these regions is essential for fully annotating miRNA transcripts. Nonetheless, existing computational methods still have room for improvement in the characterization of promoter regions. Here, we present PmiProPred, an advanced tool designed for predicting plant miRNA promoters from a wide spectrum of genomes. It consists of two core components: multi-stream deep feature extraction (MsDFE) and multi-stream deep feature refinement (MsDFR). The MsDFE utilizes Transformer and CNN to gather multi-view features, while the MsDFR focuses on aligning and refining them using channel and spatial attention mechanisms. Ultimately, a multi-layer perceptron is employed to accomplish the miRNA promoter identification task. Across three independent testing datasets, PmiProPred achieves accuracies of 94.630%, 96.659%, and 92.480%, respectively, substantially surpassing the latest methods. Additionally, PmiProPred is employed to identify potential core promoters in the upstream 2-kb regions of intergenic miRNAs in five plant species. We further conduct cis-regulatory elements mining on the predicted promoters and perform an in-depth analysis of the identified motifs. Altogether, PmiProPred is a robust and effective tool for discovering plant miRNA promoters.","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"140630"},"PeriodicalIF":7.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143254238","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

Oil-in-water Pickering emulsions with Buriti vegetable oil stabilized with cellulose nanofibrils: Preparation, stability and antimicrobial properties.

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-04-01 Epub Date: 2025-02-07 DOI: 10.1016/j.ijbiomac.2025.140233

Greiciele S da Ferreira, Daniel J da Silva, Éder R de Oliveira, Derval S Rosa

{"title":"Oil-in-water Pickering emulsions with Buriti vegetable oil stabilized with cellulose nanofibrils: Preparation, stability and antimicrobial properties.","authors":"Greiciele S da Ferreira, Daniel J da Silva, Éder R de Oliveira, Derval S Rosa","doi":"10.1016/j.ijbiomac.2025.140233","DOIUrl":"10.1016/j.ijbiomac.2025.140233","url":null,"abstract":"Mauritia flexuosa (Buriti) vegetable oil (OV) has attracted technological interest in various sectors, including pharmaceuticals, food, and beverages, because of its excellent antioxidant activity. The active OV components are fatty compounds, and stability is required for proper application. In this work, we investigated OV-in-water Pickering emulsions stabilized by cellulose nanofibrils (CNF). CNF is sustainable, economically viable, and environmentally friendly, and it is suitable for developing products in an eco-friendly way. The factorial design of experiments (DoE) indicates that the amount of CNF and the homogenization time significantly affect the emulsion, preventing coalescence over 30 days. Fourier-transform Raman spectroscopy (FT-Raman) and Fourier-transform infrared spectroscopy (FTIR) show that CNF stabilizes the OV droplets through induced dipole-dipole interactions and hydrogen bonds. Rheological analysis was relevant to the relationship between internal microstructure strength and viscous flow behavior of the emulsions. A novel approach enabled the identification of the CNF stabilization mechanism in the emulsion system via fluorescence microscopy. Diameter distribution measurements and steady-state rheological tests indicate that the emulsions have good stability at room temperature and suitable steady-state viscosity for food applications and beverage products as they show pronounced shear thinning behavior for cream and lotion skin care products.","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"140233"},"PeriodicalIF":7.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143373513","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

Gut microbiota: The pivotal conduit in the onset of constipation and its alleviation by tea flower polysaccharides (TFP) in a mouse model.

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-04-01 Epub Date: 2025-02-07 DOI: 10.1016/j.ijbiomac.2025.140808

Tingbo Wu, Fanfen Song, Jiahong Huang, Shumao Cui, Linlin Wang, Qin Yang, Yuanyuan Wu, Bo Li, Youying Tu, Xiaochun Wan, Junsheng Liu

{"title":"Gut microbiota: The pivotal conduit in the onset of constipation and its alleviation by tea flower polysaccharides (TFP) in a mouse model.","authors":"Tingbo Wu, Fanfen Song, Jiahong Huang, Shumao Cui, Linlin Wang, Qin Yang, Yuanyuan Wu, Bo Li, Youying Tu, Xiaochun Wan, Junsheng Liu","doi":"10.1016/j.ijbiomac.2025.140808","DOIUrl":"10.1016/j.ijbiomac.2025.140808","url":null,"abstract":"Plant-derived bioactive components, such as polysaccharides, provide promising alleviating effects on constipation with minimal side-effects compared to pharmacological interventions. This study aimed to explore the therapeutic potential of tea flower polysaccharides (TFP) on constipation and the involved mechanisms. In a loperamide-induced constipation mouse model, TFP administration significantly increased fecal water content from 54.23-57.30 % to 63.70-79.36 %, enhanced intestinal transit rate from 30.80 % to 38.81 %, and reduced gastrointestinal (GI) transit time from 234.4 min to 186.2 min. TFP restored levels of both excitatory and inhibitory hormones related to GI motility. Transcriptomic analysis of colonic epithelial cells revealed that TFP restored expression of 544 genes involved in various pathways, including the NF-κB and JAK-STAT signaling pathways, which are associated with the improvement of constipation. Gut microbiota analysis demonstrated that TFP mitigated dysbiosis by normalizing the Firmicutes/Bacteroidota ratio, inhibiting pathogenic genera (e.g., Helicobacter), and promoting beneficial genera (e.g., Muribaculaceae, Bacteroides, Parabacteroides). The mediating role of gut microbiota in the onset of constipation and its alleviation was confirmed through fecal microbiota transplantation (FMT). Furthermore, TFP and its combination with anti-constipation drugs alleviated constipation-induced hepatorenal damage. This study highlights TFP's potential in treating constipation and underscores the essential role of gut microbiota in its therapeutic effects.","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"140808"},"PeriodicalIF":7.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143381363","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

Selectively oxidized chitin as a degradable and biocompatible hemostat for uncontrolled bleeding and wound healing.

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-04-01 Epub Date: 2025-02-10 DOI: 10.1016/j.ijbiomac.2025.140906

Ruochen Ding, Zhan Shu, Jian Yang, Ren Chen

{"title":"Selectively oxidized chitin as a degradable and biocompatible hemostat for uncontrolled bleeding and wound healing.","authors":"Ruochen Ding, Zhan Shu, Jian Yang, Ren Chen","doi":"10.1016/j.ijbiomac.2025.140906","DOIUrl":"10.1016/j.ijbiomac.2025.140906","url":null,"abstract":"Chitin (CT), one of the most abundant biopolymers, is insoluble in both dilute aqueous solutions and common organic solvents. In traditional hemostatic applications, chitin must be either converted into acid-soluble chitosan by removing acetyl groups or dissolved in an alkaline aqueous solution at -20 °C. However, acetyl groups are more advantageous than amino groups in promoting hemostasis, biocompatibility, biodegradability, and wound healing. A significant challenge remains in retaining acetyl groups while directly preparing a hemostatic agent from chitin without requiring its dissociation. In this study, we have successfully applied oxidized chitin (OCT) as a hemostatic material, which is directly derived from chitin through a TEMPO-mediated selective oxidation of C6 primary hydroxyl groups to carboxyl groups. Due to its significantly higher hydrophilicity compared to chitin, OCT rapidly forms a gel upon contact with blood, efficiently sealing broken blood vessels and facilitating wound healing. Among OCTs with varying carboxylate contents and the commercial chitosan hemostat Celox™, OCT-24 demonstrated not only the best hemostatic performance in some injury models but also excellent biocompatibility and biodegradability, effectively preventing tissue adhesion and promoting wound healing. The selective oxidation offers a straightforward method for developing a highly effective hemostatic material from chitin to address uncontrolled massive bleeding.","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"140906"},"PeriodicalIF":7.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143405079","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

Truncated flagellin lacking the hypervariable region: A structural basis for improved immune responses and adjuvanticity

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-04-01 DOI: 10.1016/j.ijbiomac.2025.142742

Shengmei Pang, Longlong Wang, Mei Liu, Mingqing Shao, Guoqiang Zhu, Qiangde Duan

{"title":"Truncated flagellin lacking the hypervariable region: A structural basis for improved immune responses and adjuvanticity","authors":"Shengmei Pang, Longlong Wang, Mei Liu, Mingqing Shao, Guoqiang Zhu, Qiangde Duan","doi":"10.1016/j.ijbiomac.2025.142742","DOIUrl":"10.1016/j.ijbiomac.2025.142742","url":null,"abstract":"<div><div>Bacterial flagellins are recognized for their potent immunomodulatory properties and potential as vaccine adjuvants. They activate innate and adaptive immune responses by interacting with Toll-like receptor 5 (TLR5) and the cytosolic NOD-like receptor protein 4 (NLRC4) inflammasome, thereby enhancing immune responses. This study investigates the impact of various truncated flagellin derivatives, derived from Escherichia coli (EHEC EDL933) and lacking specific domains, on TLR5 activation and their adjuvant properties. We generated several truncated flagellin mutants and assessed their ability to activate TLR5 in vitro and their immunoadjuvant effects in vivo. Our data show that only the FliCH7, FliCNC, FliCH7-FaeG, and FliCNC-FaeG proteins, which lack the hypervariable region (HVP) but retain both the amino- and carboxy-terminal regions, significantly enhanced TNF-α and IL-8 production compared to other flagellin derivatives. These findings underscore the essential roles of both conserved terminal regions in TLR5 activation. Notably, the FliCNC truncated mutant exhibited TLR5 activation comparable to that of native flagellin and induced higher antibody titers when co-administered with a model antigen or used as a fusion protein. Our results suggest that the HVR is not essential for flagellin's immunoadjuvant activity and that its removal enhances flagellin's ability to activate the innate immune system. This study provides valuable insights into optimizing flagellin derivatives for vaccine development, offering a more potent platform for enhancing immune responses against a range of pathogens.</div></div>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":"308 ","pages":"Article 142742"},"PeriodicalIF":7.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143760099","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

Facile synthesis of alginate hydrogel beads activated by La³⁺/ graphene oxide for enhanced phosphate removal from aqueous environment.

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-04-01 DOI: 10.1016/j.ijbiomac.2025.142745

Wei Lin, Shuai Liu, Shenghao Zhang, Mingtao Li, Xiangpeng Gao, Chunyang Zhou, Fuqiang Fan, Bikui Zhao

{"title":"Facile synthesis of alginate hydrogel beads activated by La3+/ graphene oxide for enhanced phosphate removal from aqueous environment.","authors":"Wei Lin, Shuai Liu, Shenghao Zhang, Mingtao Li, Xiangpeng Gao, Chunyang Zhou, Fuqiang Fan, Bikui Zhao","doi":"10.1016/j.ijbiomac.2025.142745","DOIUrl":"https://doi.org/10.1016/j.ijbiomac.2025.142745","url":null,"abstract":"La-based nanoparticles encapsulated within a host matrix exhibit enhanced phosphate removal efficiency and improved stability compared to their bulk counterparts. The optimization of La-based adsorbents, balancing adsorption capacity and separation efficiency, is of great significance. In this study, we developed a three-dimensional layered skeleton network of La-modified graphene oxide/sodium alginate beads (La-GO/SA) by uniformly embedding La(OH)₃. Original GO maintained a high specific surface area (2630 m2/g), which boosted the surface area, electrical crosslinking, and affinity towards oxygen-donor compounds of La-GO/SA. The crosslinked hydrogel exhibited enhanced mesoporous and microporous structures, as confirmed by scanning electron microscopy (SEM) and surface structural analyses. Batch experiments demonstrated that La-GO/SA achieved stable phosphate removal (>80 %) across a broad pH range of 3.0-10.0, with a maximum phosphate uptake of 34.8 mg/g at pH 4.0. Notably, La-GO/SA maintained high selectivity for phosphate even in the presence of competing anions such as Cl-, HCO3-, SO42-, and NO3-. The experimental data were well-fitted to Freundlich and pseudo-second-order models, indicating a multilayer chemisorption mechanism. Additionally, multi-instrument characterization analysis elucidated the phosphate removal mechanisms, including electrostatic interactions, surface precipitation, ligand exchange, and Lewis acid-base interactions. The La-GO/SA hydrogel provided attachment sites for LaPO4 precipitates, which contributed to a decrease in pore volume after adsorption. Our research on the synthesis, properties, and adsorption mechanisms of La-GO/SA hydrogel laid a scientific foundation for practical phosphate immobilization and recycling applications.","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"142745"},"PeriodicalIF":7.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143778508","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

Human tripartite motif-containing protein 71 NCL-1/HT2A/LIN-41 domain crystal structure and its potential natural inhibitors.

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-04-01 DOI: 10.1016/j.ijbiomac.2025.142764

Liqing Lin, Md Kazy Ebnul Hasan, Xianfu Gu, Safir Ullah Khan, Alomgir Hossain, Md Omar Faruqe, Shahad Shahriar, Md Nahid Hasan Joy, Md Mahedi Hasan Sourov, Muhammad Imran Khan, Liang Zhang, Mengqi Lv, Yunyu Shi

{"title":"Human tripartite motif-containing protein 71 NCL-1/HT2A/LIN-41 domain crystal structure and its potential natural inhibitors.","authors":"Liqing Lin, Md Kazy Ebnul Hasan, Xianfu Gu, Safir Ullah Khan, Alomgir Hossain, Md Omar Faruqe, Shahad Shahriar, Md Nahid Hasan Joy, Md Mahedi Hasan Sourov, Muhammad Imran Khan, Liang Zhang, Mengqi Lv, Yunyu Shi","doi":"10.1016/j.ijbiomac.2025.142764","DOIUrl":"https://doi.org/10.1016/j.ijbiomac.2025.142764","url":null,"abstract":"TRIM71 NHL Domain is a critical driver of various cellular process and is dysregulated in several medical conditions like non-small cell lung cancer, hepatocellular carcinoma and congenital hydrocephalus. However, its pathways and binding with CDKN1A has not been well studied. To investigate its interaction with CDKN1A, we expressed TRIM71 NHL domain in SF9 insect cells using the pFastBacTM HT B plasmid, was purified by size exclusion chromatography and its crystal structure was determined successfully (PDB ID: 9JUR). Fluorescence polarization (Kd = 0.42 ± 0.04 μM) and EMSA confirmed strong and specific binding to CDKN1A mRNA, indicating its role in repressing CDKN1A expression to promote cancer cell proliferation. To further delve into its therapeutic implication, we screened a library of 2517 phytochemicals from 48 medicinal plants to identify potential natural inhibitors of the TRIM71 NHL domain. Epigallocatechin Gallate and Cyanidin 3-O-galactoside demonstrated binding affinities of -9.1 kcal/mol and -9.0 kcal/mol, respectively, while SPR confirmed their affinities with Kd values of 3.2 μM and 17.3 μM, accordingly. Molecular dynamics simulations confirmed protein-ligand complexes stability. In summary, human TRIM71 NHL domain crystal structure provides a foundation for understanding its structural features while exploring two potential inhibitors for therapeutic applications.","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"142764"},"PeriodicalIF":7.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143778653","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

Uncovering the mysteries of bacterial cytochrome c oxidases: A review on structural and molecular insights for potential application.

IF 7.7 1区化学

International Journal of Biological Macromolecules Pub Date : 2025-04-01 DOI: 10.1016/j.ijbiomac.2025.142773

Raghavendra Paduvari, Roopashri Arekal, Divyashree Mysore Somashekhara

{"title":"Uncovering the mysteries of bacterial cytochrome c oxidases: A review on structural and molecular insights for potential application.","authors":"Raghavendra Paduvari, Roopashri Arekal, Divyashree Mysore Somashekhara","doi":"10.1016/j.ijbiomac.2025.142773","DOIUrl":"https://doi.org/10.1016/j.ijbiomac.2025.142773","url":null,"abstract":"Cytochrome c oxidases are hemoproteins with a heme prosthetic group bound to the apoprotein. These complex enzymes are found embedded in the plasma membrane of the bacterial cells and play a vital role in the transfer of electrons from the electron transport chain to the oxygen molecule that acts as a terminal electron acceptor and gets reduced to water molecules. It helps establish a proton gradient across the plasma membrane by pumping hydrogen ions into the periplasmic space, generating adenosine triphosphate through oxidative phosphorylation. Bacteria have various cytochrome c oxidases based on the ecological niche that are differentially expressed with varying environmental conditions. Cytochrome c oxidases are made of different subunits with a distinct heme‑copper binuclear active site that catalyzes oxygen molecule reduction. Since these complex enzymes play a vital role in cellular respiration, the structure of cytochrome c oxidases remains conserved in many of the bacteria. Therefore, a detailed analysis of the structure of enzyme subunits, amino acid composition, and catalytic activity helps to design small molecules as drugs of clinical relevance for bacteria. The present review focuses on the structural details and molecular mechanisms such as proton pumping, electron transfer and the catalytic activity of oxygen reduction.","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"142773"},"PeriodicalIF":7.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143778689","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