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RSC Advances · 2014 ·Vol. 5 ·期 10 ·7349-7355 · IF 3.708

CoFe2O4@MnFe2O4/polypyrrole nanocomposites for in vitro photothermal/magnetothermal combined therapy

Jun Wang,Zhiguo Zhou,Li Wang,Jie Wei,Hong Yang,Shiping Yang,Jiangmin Zhao

CoFe2O4@MnFe2O4/polypyrrole nanocomposites, in which CoFe2O4@MnFe2O4 core/shell nanoparticles (NPs) were well-distributed in/on polypyrrole (PPy) nanoparticles, have been prepared by the polymerization of pyrrole by Fe3+ in the presence of polyvinyl alcohol (PVA) and CoFe2O4@MnFe2O4 NPs. In CoFe2O4@MnFe2O4/polypyrrole nanocomposites, the PPy with strong near-infrared absorption can convert 808 nm laser irradiation to heat with a photothermal conversion efficiency of ∼38%, and the CoFe2O4@MnFe2O4 NPs can convert the electromagnetic energy to heat simultaneously in an alternating magnetic field (200 kHz, 60.6 kA m−1) with a specific loss power of 930 W g−1. In vitro experiments showed that the cell viability of 4T1 cells incubated with 200 μg mL−1 of nanocomposites was ∼58% when irradiated by an 808 nm laser (0.2 W cm−2) for 10 min, and ∼68% in an alternating magnetic field (200 kHz, 60.6 kA m−1) for 0.5 h. A combination of 808 nm laser irradiation and alternating magnetic field can ablate nearly all the cells, which suggests the synergistic effect of photothermal and magnetothermal combined therapy.

CAS / MDL: 103-50-4 14024-18-1
研究领域: 纳米医学 · 癌症治疗 · 材料科学 · 生物医学工程
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BMC Oral Health · 2024 ·Vol. 24 ·期 1 ·1-12 · IF 2.6

Mechanism of action of Coptidis Rhizome in treating periodontitis based on network pharmacology and in vitro validation

Li Wei,Jiao Ruofeng,Luo Shiyi,Liu Zefei,Song Jukun,Chen Zhu

Objective Explore the therapeutic mechanism of Coptidis Rhizome (CR) in periodontitis using network pharmacology, and validate it through molecular docking and in vitro experiments. Methods Screened potential active components and target genes of CR from TCMSP and Swiss databases. Identified periodontitis-related target genes using GeneCards. Found common target genes using Venny. Conducted GO and KEGG pathway analysis. Performed molecular docking and in vitro experiments using Berberine, the main active component of CR, on lymphocytes from healthy and periodontitis patients. Assessed effects on inflammatory factors using CCK-8, flow cytometry, and ELISA. Results Fourteen active components and 291 targets of CR were identified. 30 intersecting target genes with periodontitis were found. GO and KEGG analysis revealed oxidative stress response and IL-17 signaling pathway as key mechanisms. Molecular docking showed strong binding of Berberine with ALOX5, AKT1, NOS2, and TNF. In vitro experiments have demonstrated the ability of berberine to inhibit the expression of Th17 + and other immune related cells in LPS stimulated lymphocytes, and reduce the secretion of IL-6, IL-8, and IL-17. Conclusion CR treats periodontitis through a multi-component, multi-target, and multi-pathway approach. Berberine, its key component, acts through the IL-17 signaling pathway to exert anti-inflammatory effects.

CAS / MDL: 141433-60-5
研究领域: 药理学 · 牙医学 · 分子生物学 · 免疫学
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Drug Design Development and Therapy · 2021 · IF 4.162

Mechanism of Tetrandrine Against Endometrial Cancer Based on Network Pharmacology

Wenqian Shang,Jing Zhang,Haibo Song,Shunfei Zhu,Aimin Zhang,Yushuang Hua,Shujun Han,Yan Fu

Background Endometrial cancer (EC) is one of the most common gynaecological malignancies, and its incidence has been rising over the past decade. Tetrandrine, a bisbenzylisoquinoline alkaloid, has been isolated from a vine used in traditional Chinese medicine, Stephania tetrandra . However, the key mechanism of tetrandrine in EC is still unclear. Purpose This research was designed to predict the molecular mechanisms of tetrandrine against EC based on network pharmacology and to further verify these predictions by in vitro experiments. Methods The potential therapeutic targets of tetrandrine against EC were predicted by using public databases. Afterwards, the protein–protein interaction (PPI) network of the common targets was constructed, and the key gene targets were obtained. Biological function and pathway enrichment analyses were performed by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analyses. Furthermore, molecular docking and in vitro experiments were carried out to verify the predictions. The cell counting kit‑8 (CCK‑8) assay, Hoechst 33258 staining, flow cytometry analysis, qRT-PCR, Western blot analysis and an immunofluorescence assay were performed. Results Our findings identified 111 potential therapeutic targets of tetrandrine against EC. We obtained 7 key gene targets from the PPI network analysis. Furthermore, GO enrichment analysis indicated that these targets were mainly associated with metabolic processes, responses to stimulus, and biological regulation. The KEGG pathway analysis showed that the common targets were mainly distributed in the PI3K/Akt signalling pathway. A potential interaction of tetrandrine with Akt1 was revealed by molecular docking. In addition, in vitro experiments showed that tetrandrine significantly inhibited cell proliferation and induced apoptosis in Ishikawa and HEC-1-B cells in dose- and time-dependent manners. The results also revealed that tetrandrine can downregulate the expression of Bcl-2 and upregulate the expression of Bax at the mRNA level. The mRNA levels of Akt were not significantly different in the various tetrandrine (0, 10 and 20µM) groups. However, Western blot analysis demonstrated that the protein expression ratios of p-Akt/Akt decreased at the protein level. The results were further confirmed by immunofluorescence assays. Conclusion Based on bioinformatic analysis and experimental verification, our findings demonstrated that tetrandrine exerted tumour-suppressive effects on EC by regulating the PI3K/Akt signalling pathway.

CAS / MDL: 518-34-3
研究领域: 药理学 · 肿瘤学 · 分子生物学 · 生物信息学
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Evidence-based Complementary and Alternative Medicine · 2022 · IF 2.65

Combining Network Pharmacology with Experimental Validation to Elucidate the Mechanism of Salvianolic Acid B in Treating Diabetic Peripheral Neuropathy

Qianqian Wang,Xiaogang Li,Lijun Cao,Yan Li,Yonghui Liu,Lianqing Sun

Background. Salvianolic acid B (Sal B) is a bioactive component of Radix Salviae, which has antiinflammation and antiapoptotic activity in diabetic complications. However, the molecular mechanism of action of Sal B on diabetic peripheral neuropathy (DPN) is unknown. This study was designed to identify a mechanism for Sal B in the treatment of DPN by using a pharmacology network, molecular docking, and in vitro experiments. Methods. Sal B and DPN-related targets from Gene Cards and OMIM platforms were retrieved and screened. Then, an analysis of possible targets with STRING and Cytoscape software was conducted. KEGG signaling pathways were determined using the R software. Subsequently, the binding capacity of Sal B to target proteins was analyzed by molecular docking and in vitro experiments. Results. A total of 501 targets related to Sal B and 4662 targets related to DPN were identified. Among these targets, 108 intersection targets were shared by Sal B and DPN. After topological and cluster analysis, 11 critical targets were identified, including p38MAPK. KEGG analysis revealed that the AGE-RAGE signaling pathway likely plays an important role in Sal B action on DPN. The p38MAPK protein is a key target in the AGE-RAGE signaling pathway. Molecular docking results suggested that Sal B and p38MAPK have excellent binding affinity (<−5 kcal/mol). The in vitro experiments revealed that Sal B downregulates the expressions of p-P38MAPK, inflammatory cytokines, and apoptosis targets, which are upregulated by hyperglycemia. Conclusion. Sal B may alter DPN by inhibiting inflammation and apoptosis activated by p38MAPK.

CAS / MDL: 1330-43-4
研究领域: 药理学 · 分子生物学 · 生物信息学 · 糖尿病研究
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VETERINARY MICROBIOLOGY · 2025 · IF 2.7

Copper-based drugs inhibit infectious bronchitis virus (IBV) in vitro and in vivo

Lisen Lin,Jiaqi Li,Chao Shang,Dapeng Li,Mingzhe Sun,Gaojie Song,Guangbo Qu,Xiao Li,Ran Zhu,Cuiling Zhang,Qinghao He,Guibin Jiang

Infectious bronchitis (IB) is an acute respiratory disease caused by the infectious bronchitis virus (IBV), spreads rapidly and manifests with diverse clinical signs, posing a major significant to the poultry industry. Metal ions such as copper are known to possess notable antiviral properties. Therefore, we evaluated the potential efficacy of copper-based pharmaceuticals against IBV. Results demonstrated that the copper-based drugs significantly protected DF-1 cells from IBV-M41 infection, markedly increasing cell activity and reducing IBV N-gene level. Furthermore, these drugs enhanced antiviral immunity and exhibited anti-apoptotic activity in vitro . In addition, these drugs increased the survival rates of infected chicken embryos and chicks while reducing developmental disruptions, thereby demonstrating robust antiviral effects. Pathological examinations revealed that lesions in the lungs, trachea, kidneys, spleen and other organs of treated groups improved to varying degrees, with a down-regulation of IBV N-gene level in chicks. Our study showed that the copper-based drugs exhibited anti-IBV-M41 both in vitro and in vivo , which provides a theoretical and experimental basis for exploring the anti-coronaviral effects of metal-based drug candidates.

CAS / MDL: 10402-15-0
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES · 2024 · IF 7.7

Sulfonamide modified chitosan oligosaccharide with high nematicidal activity against Meloidogyne incognita

Zhaoqian Fan,Kun Gao,Linsong Wang,Yukun Qin,Song Liu,Ronge Xing,Huahua Yu,Kecheng Li,Pengcheng Li

Chitosan oligosaccharide (COS) modification is a feasible way to develop novel green nematicides. This study involved the synthesis of various COS sulfonamide derivatives via hydroxylated protection and deprotection, which were then characterized using NMR, FTIR, MS, elemental analysis, XRD, and TG/DTG. In vitro experiments found that COS-alkyl sulfonamide derivatives ( S6 and S11 – S13 ) exhibited high mortality (>98 % at 1 mg/mL) against Meloidogyne incognita second-instar larvaes (J2s) among the derivatives. S6 can cause vacuole-like structures in the middle and tail regions of the nematode body and effectively inhibit egg hatching. In vivo tests have found that S6 has well control effects and low plant toxicity. Additionally, the structure-activity studies revealed that S6 with a high degree of substitution, a low molecular weight, and a sulfonyl bond on the amino group of the COS backbone exhibited increased nematicidal activity. The sulfonamide group is a potential active group for developing COS-based nematicides.

CAS / MDL: 9012-76-4
研究领域: 农业化学 · 害虫管理 · 有机合成 · 生物防治
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CURRENT MICROBIOLOGY · 2022 ·Vol. 79 ·期 12 ·1-10 · IF 2.343

The Combination of Salmonella Phage ST-3 and Antibiotics to Prevent Salmonella Typhimurium In Vitro

Lu Min,Liu Bingxin,Xiong Wenbin,Liu Xinchun

The novel phage ST-3, capable of infecting the foodborne pathogen Salmonella Typhimurium, was isolated from wastewater. The Biological characters and genome information of ST-3 were analyzed. In the in vitro assay, the phage ST-3 with a MOI of 10 effectively inhibited the growth of Salmonella Typhimurium CGMCC 1.1174 in 6 h. The inhibitory effect of combination phage ST-3 and antibiotics was also studied, the removal rate of planktonic host exposed to ST-3 and levofloxacin hydrochloride at the same time, or to ciprofloxacin followed by ST-3, is higher than that exposed to antibiotic dosing group alone and antibiotic + phage dosing group. The phage ST-3 combined with 0.5 µg/mL levofloxacin hydrochloride resulted in the largest decrease in biofilm biomass at 54%. The phage ST-3 could be a potential agent to control Salmonella Typhimurium growth and provide instruction for use it and antibiotics together.

CAS / MDL: 85721-33-1 177325-13-2
研究领域: 微生物学 · 药理学 · 食品安全
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Advanced Science · 2024 · IF 14.3

PEDOT-Integrated Fish Swim Bladders as Conductive Nerve Conduits

Hui Zhang,Dongyu Xu,Bin Zhang,Xiaofan Li,Minli Li,Chen Zhang,Huan Wang,Yuanjin Zhao,Renjie Chai

Advanced artificial nerve conduits offer a promising alternative for nerve injury repair. Current research focuses on improving the therapeutic effectiveness of nerve conduits by optimizing scaffold materials and functional components. In this study, a novel poly(3,4-ethylenedioxythiophene) (PEDOT)-integrated fish swim bladder (FSB) is presented as a conductive nerve conduit with ordered topology and electrical stimulation to promote nerve regeneration. PEDOT nanomaterials and adhesive peptides (IKVAV) are successfully incorporated onto the decellularized FSB substrate through pre-coating with polydopamine. The obtained PEDOT/IKVAV-integrated FSB substrate exhibits outstanding mechanical properties, high electrical conductivity, stability, as well as excellent biocompatibility and bioadhesive properties. In vitro studies confirm that the PEDOT/IKVAV-integrated FSB can effectively facilitate the growth and directional extension of pheochromocytoma 12 cells and dorsal root ganglion neurites. In addition, in vivo experiments demonstrate that the proposed PEDOT/IKVAV-integrated FSB conduit can accelerate defective nerve repair and functional restoration. The findings indicate that the FSB-derived conductive nerve conduits with multiple regenerative inducing signals integration provide a conducive milieu for nerve regeneration, exhibiting great potential for repairing long-segment neural defects.

研究领域: 神经科学 · 组织工程 · 生物材料 · 再生医学
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Molecular Medicine Reports · 2025 ·Vol. 31 ·期 5 ·1-14 · IF 3.5

Investigating the molecular mechanism of purslane‑based vitiligo treatment using network pharmacology, molecular docking and in vitro analyses

Xueying Zhang,Lele Meng,Xiaorong Ran,Shuang Li,Changhui Wen

Purslane is a traditional Chinese medicine with a long‑standing history of efficacy in the management of dermatological conditions such as vitiligo. However, the molecular mechanisms underlying its therapeutic effects on vitiligo remain unclear. Therefore, the present study explored these mechanisms using network pharmacology, molecular docking and in vitro experiments. Following the screening process, seven principal active components were identified, namely kaempferol, hesperetin, luteolin, quercetin, arachidonic acid, cycloartenol and β‑sitosterol. In addition, six key targets, namely AKT1, tumor protein p53, peroxisome proliferator‑activated receptor γ (PPARG), estrogen receptor 1, prostaglandin‑endoperoxidase synthase 2 and mitogen‑activated protein kinase 1, and eight pathways in purslane‑based vitiligo treatment were identified. Network pharmacology and molecular docking demonstrated that flavonoids are the key components of purslane likely to mitigate oxidative stress damage in vitiligo. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analyses revealed that the phosphatidylinositol 3‑kinase (PI3K)/AKT, p53 and PPARG signaling pathways are associated with purslane components and vitiligo. In vitro experiments revealed that purslane total flavones (PTF) increased cell viability, decreased ROS levels and increased antioxidant enzyme activities in H2O2‑induced B16F10 cells. In addition, PTF activated the PI3K/AKT signaling pathway in H2O2‑induced B16F10 cells, and the antioxidant effect of PTF was attenuated by a PI3K/AKT inhibitor. In conclusion, the findings of the present study suggest that the flavonoids of purslane contribute, at least in part, to its therapeutic effectiveness in vitiligo by mitigating oxidative stress in melanocytes through the PI3K/AKT signaling pathway.

CAS / MDL: 1898-66-4 90045-36-6
研究领域: 药理学 · 皮肤科 · 分子生物学 · 传统中药
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Current Protocols · 2025 ·Vol. 5 ·期 7 ·e70179 · IF 2.2

In vitro Nucleosome Assembly Facilitated by the Histone Chaperone SRCAP

Bingyan Yuan,Jingjun Hong

In eukaryotic cells, nucleosomes are octameric structures composed of DNA and histones, and their tandem arrangement ultimately forms chromosomes. Nucleosome assembly is governed in vivo by a series of molecular mechanisms, particularly histone chaperones such as Swr1, which is indispensable for H2A.Z-nucleosome formation. The assessment of nucleosome assembly using micrococcal nuclease (MNase) digestion has been widely accepted. We describe a simple and reproducible protocol for analyzing the chaperone activity of SRCAP (Snf2-related CREBBP activator protein), the histone H2A.Z chaperone. This approach involves purifying a complex of H2A.Z, H2B, and SRCAP via fast protein liquid chromatography (FPLC) only, followed by its assembly with DNA-(H3.1-H4 A15C ) 2 . The formation of nucleosomes is then determined in vitro using electrophoretic mobility shift assay (EMSA) and MNase digestion. This approach can also be adapted to evaluate whether other histone chaperones or regulatory factors promote nucleosome assembly activity. © 2025 Wiley Periodicals LLC. Basic Protocol : In vitro nucleosome assembly facilitated by the histone chaperone SRCAP

研究领域: 分子生物学 · 生物化学 · 细胞生物学 · 表观遗传学
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FOOD CHEMISTRY · 2024 · IF 8.5

Study of the ability of polysaccharides isolated from Zizania latifolia to promote wound healing in mice via in vitro screening and in vivo evaluation

Kehan Zhu,Zhen Yao,Tianyi Gu,Xianhao Jiang,Jianqin Zhou,Duxin Li

Swollen culms of Zizania latifolia possess a peculiar flavor, nutritional value and health-promoting effects. This study investigated the wound healing ability of polysaccharides isolated from Zizania latifolia (ZLP). Through in vitro assays, ZLP demonstrated negligible cytotoxicity and promoted the migration and phagocytosis of Staphylococcus aureus by macrophages where ZLP-2 had a significantly greater effect. Moreover, ZLP-2 has a higher purity and molecular weight, an integral and large lamellar morphology, and a larger particle size in solution, suggesting its ability to form films. Thus, ZLP-2 was fabricated as a gel formulation for topical application. The in vivo results showed that the ZLP-2 gel had significantly greater effects than did the autonomous healing process according to quantitative analysis of the wound closure area. The ZLP-2 gel decreased the levels of TNF-α and IL-6 in wounded tissue. Furthermore, the quantification of the molecular indexes via qRT-PCR revealed that the levels of tnf-α, tgf-β, mcp-1, ifn-γ, inos, and vegf in the treated group increased during the inflammatory and proliferation stages but decreased after wound closure. These results suggest that ZLP-2 has great potential in pharmaceutical applications for wound care.

研究领域: 药理学 · 伤口愈合 · 多糖研究 · 炎症
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MATERIALS & DESIGN · 2021 · IF 7.991

A visual fluoresce covalent organic polymer for precise analysis of Fe3+ in MC3T3-E1 cells: A method for bone disease diagnosis

Wenqiang Li,Changpeng Xu,Lin Huang,Zhiguan Huang,Bin Zhou,Yuhe Li,Jianghui Dong,Liping Wang

Precise detection of Fe 3+ ions in vitro is important for diagnosis of disease and bone health. Covalent organic polymers (COPs) are chosen as the precision probes, due to their light-weight, stable-bonds, and fast-response. In this work, a new fluorescent COP, pyrene-2,7-diboronic-COP(PD-COP), was designed and its feasibility in detection of iron concentration in cells was tested. PD-COP showed good performance in selective detection of Fe 3+ , among other metal ions. Its high anti-interference property and recyclability provide the theoretical basis for practical applications. PD-COP could selectively detect Fe 3+ ions with low limit of detection (LOD) at a concentration of about 0.68 µM. The quenching mechanism could be due to the transfer of electron. The in vitro experiments using cells also showed that the PD-COP had good biocompatibility, and the ability to detect Fe 3+ ions in cells. In conclusion, we successfully synthesized a novel COP, with high sensitivity that could selectively detect Fe 3+ ions. The COP had the ability to enter the cell membrane and combine with iron ions, which provided a new method of monitoring bone health.

CAS / MDL: 81090-53-1 14221-01-3
研究领域: 材料科学 · 分析化学 · 生物材料 · 细胞生物学 · 医学诊断
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