Colloids and Surfaces B: Biointerfaces最新文献_第7页

Multifunctional mesoporous polydopamine nanoplatforms for synergistic photothermal-chemotherapy and enhanced immunotherapy in breast cancer treatment.

IF 5.4 2区医学

Colloids and Surfaces B: Biointerfaces Pub Date : 2024-12-27 DOI: 10.1016/j.colsurfb.2024.114483

Siqiong Wu, Yongjun Chen, Ke Wang, Mingquan Huang, Liuxuan Yang, Jing Yang, Qiming Wei, Chao Tao, Chunhong Li, Meiling Zhou

{"title":"Multifunctional mesoporous polydopamine nanoplatforms for synergistic photothermal-chemotherapy and enhanced immunotherapy in breast cancer treatment.","authors":"Siqiong Wu, Yongjun Chen, Ke Wang, Mingquan Huang, Liuxuan Yang, Jing Yang, Qiming Wei, Chao Tao, Chunhong Li, Meiling Zhou","doi":"10.1016/j.colsurfb.2024.114483","DOIUrl":"https://doi.org/10.1016/j.colsurfb.2024.114483","url":null,"abstract":"Breast cancer remains one of the most prevalent and deadly cancers among women worldwide, necessitating the development of more effective and comprehensive treatment strategies. In this study, we successfully synthesized mesoporous polydopamine (MPDA) with photothermal effects for the co-delivery of the chemotherapeutic drug doxorubicin (DOX) and the immune adjuvant imiquimod (R837), resulting in the development of a multifunctional nanoplatforms termed MDR. MDR displayed excellent photothermal conversion efficiency and pH-responsive drug release behavior. In vitro assessments revealed significant cytotoxicity of MDR against 4T1 cells under 808 nm laser irradiation, with enhanced cellular uptake in both 4T1 cells and bone marrow-derived dendritic cells (BMDCs). Additionally, the expression levels of the costimulatory molecules CD80 and CD86 were remarkably higher in the MDR-treated group than free R837 after co-incubation with immature BMDCs, indicating a stronger ability to promote BMDC maturation and effectively stimulate immune response activation. Intratumoral injection in breast cancer-bearing mice further demonstrated that the MDR + NIR group significantly inhibited tumor growth compared to other groups, with no apparent side effects. In conclusion, the multifunctional nanoplatforms integrating photothermal therapy, chemotherapy, and immunotherapy are expected to provide a novel therapeutic approach for the multimodal treatment of breast cancer.","PeriodicalId":279,"journal":{"name":"Colloids and Surfaces B: Biointerfaces","volume":"248 ","pages":"114483"},"PeriodicalIF":5.4,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142908902","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Cascade of phase transitions in a dipeptide supramolecular assembly triggered by a single fatty acid.

IF 5.4 2区医学

Colloids and Surfaces B: Biointerfaces Pub Date : 2024-12-26 DOI: 10.1016/j.colsurfb.2024.114480

Kaifeng Guo, Liang Gao, Jinbo Fei

{"title":"Cascade of phase transitions in a dipeptide supramolecular assembly triggered by a single fatty acid.","authors":"Kaifeng Guo, Liang Gao, Jinbo Fei","doi":"10.1016/j.colsurfb.2024.114480","DOIUrl":"https://doi.org/10.1016/j.colsurfb.2024.114480","url":null,"abstract":"Significant progress has been achieved with diversity of short peptide supramolecular assemblies. However, their programmable phase modulation by single stimulus remains a great challenge. Herein, we demonstrate a dipeptide supramolecular system undergoes sequentially coupled phase transitions upon hydrogen bonding association and dissociation triggered by a single fatty acid. To be specific, fatty acid at a low specific ratio mediates gel-crystal transformation of the dipeptide supramolecular assembly by rearrangement of hydrogen bonding interactions. Moreover, fatty acid at a high specific ratio induces crystal-sol transition by protonation of the dipeptide, generating strong electrostatic repulsion to cleave hydrogen bonding interactions. Remarkably, the cascade of phase transitions enables spontaneous solid-liquid separation of the dipeptide from one dispersion phase and further dissolution in another in a capture and release fashion. In contrast, it is not facilitated by individual phase transition. Our work creates competitive pathways to achieve integration of phase transitions in a simple dipeptide supramolecular system. It is useful to deeply understand the dynamic and complex biomolecular condensates in nature and with important implications for efficient collection of biomolecules.","PeriodicalId":279,"journal":{"name":"Colloids and Surfaces B: Biointerfaces","volume":"248 ","pages":"114480"},"PeriodicalIF":5.4,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142908899","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A multifunctional graphene oxide-based nanodrug delivery system for tumor targeted diagnosis and treatment under chemotherapy-photothermal-photodynamic synergy.

IF 5.4 2区医学

Colloids and Surfaces B: Biointerfaces Pub Date : 2024-12-26 DOI: 10.1016/j.colsurfb.2024.114479

Huirui Zhu, Ruolan Feng, Dongkun Li, Meijuan Shi, Nan Wang, Yijie Wang, Yumeng Guo, Xiaoning Li, Tao Gong, Rui Guo

{"title":"A multifunctional graphene oxide-based nanodrug delivery system for tumor targeted diagnosis and treatment under chemotherapy-photothermal-photodynamic synergy.","authors":"Huirui Zhu, Ruolan Feng, Dongkun Li, Meijuan Shi, Nan Wang, Yijie Wang, Yumeng Guo, Xiaoning Li, Tao Gong, Rui Guo","doi":"10.1016/j.colsurfb.2024.114479","DOIUrl":"https://doi.org/10.1016/j.colsurfb.2024.114479","url":null,"abstract":"Traditional cancer therapies, such as chemotherapy, often lack specificity, resulting in severe toxic side effects and limited therapeutic efficacy. There is an urgent need to develop innovative multifunctional nanomedicine carriers that integrate precise diagnosis, targeted therapy, real-time monitoring, and the synergistic effects of multiple therapeutic approaches. In this study, a composite nanodrug delivery system (GO-HA-Ce6-GNRs) based on graphene oxide (GO) was innovatively prepared, which was functionalized with the targeting molecule hyaluronic acid (HA), the photosensitizer chlorin e6 (Ce6), and the photothermal material gold nanorods (GNRs). In vitro and in vivo experiments demonstrated that GO-HA-Ce6-GNRs exhibited excellent biocompatibility, remarkable photothermal and photodynamic properties, high drug-loading capacity for the anticancer drug doxorubicin hydrochloride (DOX), and a dual pH/near-infrared (NIR) light-responsive drug release profile. Additionally, GO-HA-Ce6-GNRs displayed enhanced tumor targeting and efficient fluorescence imaging capabilities. Notably, GO-HA-Ce6-GNRs@DOX manifested highly effective chemotherapy-photothermal-photodynamic synergistic anti-tumor effects in both MCF-7 and HeLa cancer cells as well as U14 tumor-bearing mice. Therefore, GO-HA-Ce6-GNRs@DOX represents a promising nanoplatform for tumor diagnosis and therapy, significantly improving the safety and efficacy of chemotherapy. This work provides a solid foundation and theoretical basis for the development of new targeted nano drug delivery systems that integrate both diagnosis and treatment.","PeriodicalId":279,"journal":{"name":"Colloids and Surfaces B: Biointerfaces","volume":"248 ","pages":"114479"},"PeriodicalIF":5.4,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142908896","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Design of a versatile platform on nanostructured Ti-Mo-Zr alloy surface with photothermal, antibacterial and osteoinductive properties for biomedical application.

IF 5.4 2区医学

Colloids and Surfaces B: Biointerfaces Pub Date : 2024-12-25 DOI: 10.1016/j.colsurfb.2024.114473

Bianyun Cai, Mintao Xue, Delin Yuan, Xueke Zhou, Yizhou Huang, Zhijun Guo

{"title":"Design of a versatile platform on nanostructured Ti-Mo-Zr alloy surface with photothermal, antibacterial and osteoinductive properties for biomedical application.","authors":"Bianyun Cai, Mintao Xue, Delin Yuan, Xueke Zhou, Yizhou Huang, Zhijun Guo","doi":"10.1016/j.colsurfb.2024.114473","DOIUrl":"https://doi.org/10.1016/j.colsurfb.2024.114473","url":null,"abstract":"Bacterial infection and inadequate osseointegration represent significant challenges in the application of titanium (Ti)-based bone implants. Surface modification presents a promising strategy to address these obstacles. Taking advantage of silver ions, black phosphorus nanosheets (BPNs) and polydopamine (PDA), this study developed a versatile platform on the surface of Ti-12Mo-10Zr (TMZ) alloy through a multiple surface modification process, including the anodic oxidation treatment of TMZ alloy, the preparation and addition of silver-loaded BPNs (BPNs/Ag), and the coating with PDA. Our results demonstrated that silver enhanced the stability of BPNs/Ag, which were successfully loaded to the nanostructure of oxidized TMZ surface. PDA coating conferred a pH-responsive property to the surface, prolonged the release of silver ions, and improved the photothermal performance. In acidic conditions that mimic bone defect microenvironment, the platform exhibited good photothermal performance, accelerated Ag+ release, enhanced antibacterial efficacy, and increased osteoinductivity. Taken together, due to its advantageous characteristics, the versatile platform provides a valuable solution to improve the surface performance of TMZ alloys.","PeriodicalId":279,"journal":{"name":"Colloids and Surfaces B: Biointerfaces","volume":"248 ","pages":"114473"},"PeriodicalIF":5.4,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142902283","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Self-augmented catabolism mediated by Se/Fe co-doped bioceramics boosts ROS storm for highly efficient antitumor therapy of bone scaffolds.

IF 5.4 2区医学

Colloids and Surfaces B: Biointerfaces Pub Date : 2024-12-25 DOI: 10.1016/j.colsurfb.2024.114477

Wenjing Yang, Chenhang Ding, Yibing Ji, Chongxian He, Feilong Xiong, Wurikaixi Aiyiti, Cijun Shuai

{"title":"Self-augmented catabolism mediated by Se/Fe co-doped bioceramics boosts ROS storm for highly efficient antitumor therapy of bone scaffolds.","authors":"Wenjing Yang, Chenhang Ding, Yibing Ji, Chongxian He, Feilong Xiong, Wurikaixi Aiyiti, Cijun Shuai","doi":"10.1016/j.colsurfb.2024.114477","DOIUrl":"https://doi.org/10.1016/j.colsurfb.2024.114477","url":null,"abstract":"The overexpression of glutathione (GSH) within the tumor microenvironment has long been considered as the major obstacle for reactive oxygen species (ROS)-based antitumor therapies. To address this challenge, a selenite (SeO32 -) and ferric ion co-doped hydroxyapatite (SF-HAP) nanohybrid was synthesized, which is then introduced into poly-L-lactic acid (PLLA) to prepare porous scaffold by selective laser sintering to continuously release Fe3+ and SeO32- ions. Of great significance is the released SeO32- catabolize GSH to generate superoxide anion (O2•-) rather than directly eliminating GSH, thereby reversing the obstacle posed by its overexpression and achieving a \"waste-to-treasure\" transformation. The newly generated O2•- synergizes with the hydroxyl radicals (•OH) produced by the Fenton reaction between Fe3+/2+ and hydrogen peroxide, triggering high concentration ROS storms. Collectively, the PLLA/SF-HAP scaffold mediated self-augmented catabolism dynamic progress significantly raised intracellular ROS levels, almost twice as much as PLLA/Fe-HAP scaffold, thereby effectively inducing tumor cell apoptosis. The study provides an innovative inspiration for ROS-based antitumor therapies.","PeriodicalId":279,"journal":{"name":"Colloids and Surfaces B: Biointerfaces","volume":"248 ","pages":"114477"},"PeriodicalIF":5.4,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142908905","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Investigation of bacterial nanocellulose/calcium phosphates-based composite containing cerium for bone repair.

IF 5.4 2区医学

Colloids and Surfaces B: Biointerfaces Pub Date : 2024-12-24 DOI: 10.1016/j.colsurfb.2024.114476

Ricardo Barbosa Sousa, Alessandra Cristina Dametto, Gabriela Fontana de Mesquita, Pedro Henrique Ricardo, Júlia Venturini Helaehil, Santiago Medina-Carrasco, Josy Anteveli Osajima Furtini, Guilherme Ferreira Caetano, Hernane S Barud, Edson C Silva-Filho

{"title":"Investigation of bacterial nanocellulose/calcium phosphates-based composite containing cerium for bone repair.","authors":"Ricardo Barbosa Sousa, Alessandra Cristina Dametto, Gabriela Fontana de Mesquita, Pedro Henrique Ricardo, Júlia Venturini Helaehil, Santiago Medina-Carrasco, Josy Anteveli Osajima Furtini, Guilherme Ferreira Caetano, Hernane S Barud, Edson C Silva-Filho","doi":"10.1016/j.colsurfb.2024.114476","DOIUrl":"https://doi.org/10.1016/j.colsurfb.2024.114476","url":null,"abstract":"Bacterial nanocellulose (BNC) has attracted considerable attention in the field of biomedical engineering due to its potential for use in bone regeneration applications. The present study investigates the in vitro and in vivo efficacy of bacterial nanocellulose (BNC) combined with calcium and cerium ions (BNC-Ce:CaP) in bone regeneration applications. XRD analysis confirmed the presence of monetite and hydroxyapatite phases in BNC-CaP, while BNC-Ce:CaP revealed an additional brushite phase. Based on XPS analysis, cerium (III) is found in BNC-Ce:CaP at a concentration of 4.14 % (mol/mol). BNC revealed ultrafine 3D nanofibers with diameters ranging from 20.8 to 53.0 nm, while BNC-Ce:CaP composite, containing cerium, exhibited urchin-like structures with diameters around 1 µm and BNC-CaP composite presented phosphates covering the fiber surfaces, leading to significant thickness increases and pleat formation (70-180 nm). The composite materials demonstrated insignificant cytotoxicity. The results performed by histomorphometric analysis demonstrated that the BNC-Ce:CaP composites showed superior mineralized tissue formation after 60 days. Gene expression revealed a reduction in the inflammatory response and an increase in the expression of osteogenic markers, such as Bmp-2 and Osterix, in addition to an increase in the expression of angiogenic genes, such as Vegf. These findings highlight the potential of BNC-Ce:CaP composites as effective barriers to promote bone regeneration.","PeriodicalId":279,"journal":{"name":"Colloids and Surfaces B: Biointerfaces","volume":"248 ","pages":"114476"},"PeriodicalIF":5.4,"publicationDate":"2024-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142925851","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Zeolite-like algal biochar nanoparticles for enhanced antibiotics removal: Sorption mechanisms and theoretical calculations.

IF 5.4 2区医学

Colloids and Surfaces B: Biointerfaces Pub Date : 2024-12-24 DOI: 10.1016/j.colsurfb.2024.114475

Jiaxing Sun, Lili Ji, Jiaxin Liu, Hao Yang, Teng Dong, Tongxin Liu

{"title":"Zeolite-like algal biochar nanoparticles for enhanced antibiotics removal: Sorption mechanisms and theoretical calculations.","authors":"Jiaxing Sun, Lili Ji, Jiaxin Liu, Hao Yang, Teng Dong, Tongxin Liu","doi":"10.1016/j.colsurfb.2024.114475","DOIUrl":"https://doi.org/10.1016/j.colsurfb.2024.114475","url":null,"abstract":"In the study, Sargassum horneri (S. horneri) was used to create a novel zeolite-like algal biochar (KSBC). KSBC with doping of N, O, S, Al, and Si, displayed zeolite-like properties, including well-developed porosity, a high specific surface area (1137.60 m2/g), and a large number of oxygen-containing functional groups. According to bath adsorption experiments, ciprofloxacin (CIP) and tetracycline (TC) had maximum adsorption capacities of 352.936 and 265.385 mg/g, respectively, on KSBC. The adsorption behavior of the two antibiotics on KSBC was consistent with the Freundlich isotherm model and the pseudo-first-order kinetic model. According to the density functional theory calculations, the -OH, Si, N, and Al in KOH could change the electronic structure and increase absorbability. Additionally, pore adsorption, hydrogen bonding, complexation, electrostatic interaction, and π-π electron-donor-acceptor (EDA) interaction were the adsorption mechanisms of CIP and TC via KSBC. S. horneri algal biochar demonstrated encouraging promise as an adsorbent for eliminating antibiotics from wastewater.","PeriodicalId":279,"journal":{"name":"Colloids and Surfaces B: Biointerfaces","volume":"248 ","pages":"114475"},"PeriodicalIF":5.4,"publicationDate":"2024-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142908908","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Recent advances in spatiotemporal control of the CRISPR/Cas9 system.

IF 5.4 2区医学

Colloids and Surfaces B: Biointerfaces Pub Date : 2024-12-24 DOI: 10.1016/j.colsurfb.2024.114474

Junqi Zhang, Yuzi Zhou, Jie Qiao, Yi Liu

引用次数: 0

3D-printed Ti₃C₂/polycaprolactone composite scaffold with a DOPA-SDF1 surface modified for bone repair.

IF 5.4 2区医学

Colloids and Surfaces B: Biointerfaces Pub Date : 2024-12-23 DOI: 10.1016/j.colsurfb.2024.114470

Yu Han, Li-Hui Sun, Bo Cai, Ming Xia, Chun-Quan Zhu, Dong-Song Li

{"title":"3D-printed Ti3C2/polycaprolactone composite scaffold with a DOPA-SDF1 surface modified for bone repair.","authors":"Yu Han, Li-Hui Sun, Bo Cai, Ming Xia, Chun-Quan Zhu, Dong-Song Li","doi":"10.1016/j.colsurfb.2024.114470","DOIUrl":"https://doi.org/10.1016/j.colsurfb.2024.114470","url":null,"abstract":"Large bone defects are a major clinical challenge in bone reconstructive surgery. 3D printing is a powerful technology that enables the manufacture of custom tissue-engineered scaffolds for bone regeneration. Electrical stimulation (ES) is a treatment method for external bone defects that compensates for damaged internal electrical signals and stimulates cell proliferation and differentiation. In this study, we propose a simple, reliable, and versatile strategy to prepare multifunctional 3D printed scaffold combined with ES for bone defect therapy. Firstly, scaffolds composed of polycaprolactone (PCL) and Ti3C2 were prepared by 3D printing technology, and then a stromal cell derived factor 1 (SDF1) containing DOPA tag was loaded onto the scaffold surface. Ti3C2 was selected as the electrode component because of its excellent electrical conductivity. The selection of DOPA-modified SDF-1(DOPA-SDF1) can improve the material binding ability and exert long-term stem cell recruitment function. The results show that prepared 3D printed scaffold (DOPA-SDF1@PCL#Ti3C2) has good hydrophilicity, electrical conductivity, antibacterial property, biocompatibility and stem cell recruitment ability. Furthermore, the expression of osteogenic specific genes in scaffold surface cells was significantly increased when pulse ES (PES) treatment was applied. The results of tibial plateau defect repair experiment showed that DOPA-SDF1@PCL#Ti3C2 scaffold can significantly promote the formation of new bone and collagen fibres. When the DOPA-SDF1@PCL#Ti3C2 scaffold was used in combination with PES therapy, the bone defect regeneration rate was further improved. This kind of scaffold could provide a new strategy for promoting the healing of large bone injuries and could expand the application of adjuvant therapy such as PES.","PeriodicalId":279,"journal":{"name":"Colloids and Surfaces B: Biointerfaces","volume":"248 ","pages":"114470"},"PeriodicalIF":5.4,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142902281","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

In silico bioprospecting of receptors for Oligoventin: An antimicrobial peptide isolated from spider eggs of Phoneutria nigriventer.

IF 5.4 2区医学

Colloids and Surfaces B: Biointerfaces Pub Date : 2024-12-22 DOI: 10.1016/j.colsurfb.2024.114472

Elias Jorge Muniz Seif, Pedro Ismael Silva Junior

{"title":"In silico bioprospecting of receptors for Oligoventin: An antimicrobial peptide isolated from spider eggs of Phoneutria nigriventer.","authors":"Elias Jorge Muniz Seif, Pedro Ismael Silva Junior","doi":"10.1016/j.colsurfb.2024.114472","DOIUrl":"https://doi.org/10.1016/j.colsurfb.2024.114472","url":null,"abstract":"Background: Irresponsible and wholesale use of antimicrobial agents is the principal cause of the emergence of strains of resistant microorganisms to traditional drugs. Oligoventin is a neutral peptide isolated from spider eggs of Phoneutria nigriventer, with antimicrobial activity against Gram-positive, Gram-negative, and yeast organisms. However, the molecular target and pathways of antimicrobial activity are still unknown. Thus, the aim of the present study is to prospect receptors associated with the antimicrobial activity of Oligoventin using in silico tools.Methods: The PharmMapper and PDB server was used to prospect targets originating from microorganisms. Additionally, the PatchDock server was utilized to perform molecular docking between Oligoventin and the targets. Subsequently, the I-TASSER server was adopted to predict the ligand site. Finally, the docking results and predicted sites were compared with literature sites of each target.Results: Over 100 potential receptors for oligoventin have been identified. Among these, enoyl-ACP reductase (Idpdb1LXC) and thymidylate synthase ThyX (Idpdb 1O28) from bacteria and N-acetylglucosamine phosphate mutase (Idpdb 2DKD) showed superior interaction with oligoventin, exhibiting colocalization between docked residues and cofactor/active sites. These enzymes play a crucial role in fatty acid and DNA biosynthesis in prokaryotes and in cell wall synthesis in yeast.Conclusion: Therefore, in silico results suggest that Oligoventin can impair fatty acid DNA, cell wall synthesis, thereby reducing microbial proliferation and causing microorganism death.","PeriodicalId":279,"journal":{"name":"Colloids and Surfaces B: Biointerfaces","volume":"248 ","pages":"114472"},"PeriodicalIF":5.4,"publicationDate":"2024-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142890854","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0