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Quercetin-Loaded Graphene Oxide Nanoparticles Modulate Inflammatory Gene Expression and Enhance Cell Migration In Vitro. 槲皮素负载的氧化石墨烯纳米颗粒调节炎症基因表达并增强细胞体外迁移。
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2025-07-23 DOI: 10.1002/open.202500215
Hossain Alipour, Elnaz Tamjid, Mehrdad Behmanesh
{"title":"Quercetin-Loaded Graphene Oxide Nanoparticles Modulate Inflammatory Gene Expression and Enhance Cell Migration In Vitro.","authors":"Hossain Alipour, Elnaz Tamjid, Mehrdad Behmanesh","doi":"10.1002/open.202500215","DOIUrl":"https://doi.org/10.1002/open.202500215","url":null,"abstract":"<p><p>Quercetin, a plant-derived flavonoid, shows promising wound-healing properties due to its antioxidant, anti-inflammatory, and antibacterial effects. However, its limited water solubility limits its use. This study aims to enhance quercetin's efficacy by loading it onto graphene oxide (GO) and evaluating its in vitro effects for wound healing. GO is synthesized and quercetin is loaded onto its surface. Cytotoxicity of GO, quercetin, and quercetin-loaded GO on human foreskin fibroblasts is determined. The expression levels of genes NF-κB, IL-1β, and TNF-α are measured using qPCR. Wound healing is assessed via a scratch assay. The minimum inhibitory concentration (MIC) and maximum bactericidal concentration (MBC) of GO and quercetin-loaded GO against E. coli and S. aureus are determined. Results show quercetin release is higher at pH 8.5 (59%) compared to pH 7.4 (40%). Cytotoxicity studies indicate that quercetin-loaded GO enhances biocompatibility. The scratch assay shows a significantly higher wound closure rate in the quercetin-loaded GO group after 48 h, than GO and quercetin alone (p < 0.05). Additionally, quercetin-loaded GO exhibits antibacterial activity with MIC values of 4.8 μg mL<sup>-1</sup> for both bacteria. These findings suggest that quercetin-loaded GO is a promising candidate for wound healing.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500215"},"PeriodicalIF":2.5,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144697714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
One-Pot Four-Component Synthesis of Novel Amino-Tetrahydro-Chromene Derivatives Anchored with Dual Triazole Moieties. 双三唑基新型氨基-四氢铬衍生物的一锅四组分合成。
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2025-07-23 DOI: 10.1002/open.202500247
Saeede Azhari, Mohammad Majid Mojtahedi, M Saeed Abaee
{"title":"One-Pot Four-Component Synthesis of Novel Amino-Tetrahydro-Chromene Derivatives Anchored with Dual Triazole Moieties.","authors":"Saeede Azhari, Mohammad Majid Mojtahedi, M Saeed Abaee","doi":"10.1002/open.202500247","DOIUrl":"https://doi.org/10.1002/open.202500247","url":null,"abstract":"<p><p>A double aldol condensation-Michael addition-cyclization-double click reaction sequence is conducted in one pot for the synthesis of a novel series of tetrahydro-chromene derivatives anchored with dual triazole rings. The process is optimized primarily step by step under ultrasonic irradiation in a basic aqueous t-BuOH medium. The steps are then successfully combined into a four-component one-pot reaction using the optimum conditions, where the whole operation took less than 2 h to complete. As a result, the new products are precipitated in the reaction vessel and obtained directly by simple filtration-crystallization without undergoing any other costly separation or chromatographic operations. The structures of the intermediates and the products are characterized using various spectroscopic methods.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500247"},"PeriodicalIF":2.5,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144688997","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Lupeol as a Potential Inhibitor of NorA Efflux Pumps in Staphylococcus aureus: In Silico and In Vitro Evidence. Lupeol作为金黄色葡萄球菌NorA外排泵的潜在抑制剂:体内和体外证据。
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2025-07-22 DOI: 10.1002/open.202500227
Nara Juliana Santos Araújo, Camila Aparecida Pereira Silva, Vanessa Lima Bezerra, Cicera Datiane Morais Oliveira-Tintino, Gabriel Gonçalves de Alencar, Maria do Socorro Costa, Ana Raquel Pereira da Silva, Josefa Sayonara Dos Santos, Kamila Correa Camara, Heberty diTarso Fernandes Facundo, Lívia Pereira Ferreira, Henrique Douglas Melo Coutinho, José Maria Barbosa Filho, Carolina Bandeira Domiciano, José Bezerra de Araújo-Neto, Jacqueline Cosmo Andrade-Pinheiro
{"title":"Lupeol as a Potential Inhibitor of NorA Efflux Pumps in Staphylococcus aureus: In Silico and In Vitro Evidence.","authors":"Nara Juliana Santos Araújo, Camila Aparecida Pereira Silva, Vanessa Lima Bezerra, Cicera Datiane Morais Oliveira-Tintino, Gabriel Gonçalves de Alencar, Maria do Socorro Costa, Ana Raquel Pereira da Silva, Josefa Sayonara Dos Santos, Kamila Correa Camara, Heberty diTarso Fernandes Facundo, Lívia Pereira Ferreira, Henrique Douglas Melo Coutinho, José Maria Barbosa Filho, Carolina Bandeira Domiciano, José Bezerra de Araújo-Neto, Jacqueline Cosmo Andrade-Pinheiro","doi":"10.1002/open.202500227","DOIUrl":"https://doi.org/10.1002/open.202500227","url":null,"abstract":"<p><p>Antimicrobial resistance remains one of the major challenges to global public health, compromising the effectiveness of treatments and contributing to increased morbidity and mortality associated with bacterial infections. Among the mechanisms involved, efflux pumps-such as NorA, expressed in resistant strains of Staphylococcus aureus-are particularly noteworthy. These transport proteins actively expel antibiotics from the cell, reducing their intracellular concentration. In this context, natural compounds have been explored as potential resistance inhibitors, with a focus on the triterpene lupeol, known for its pharmacological properties. This study evaluates the activity of lupeol against the NorA efflux pump using in vitro assays and in silico modeling. The minimum inhibitory concentration (MIC) is determined by broth microdilution, and pump inhibition is assessed via ethidium bromide-induced fluorescence. SYTOX Green assays indicated that lupeol does not compromise bacterial membrane integrity. Although lupeol presented a MIC ≥ 1024 μg mL<sup>-1</sup>, it demonstrates significant inhibition of NorA activity. Molecular docking reveals a binding energy of -7.112 kcal mol<sup>-1</sup> and interactions with key residues of the protein, outperforming the CCCP control. These findings suggest that lupeol acts as a modulator of bacterial resistance, with potential application as a therapeutic adjuvant in the treatment of infections caused by multidrug-resistant S. aureus.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500227"},"PeriodicalIF":2.5,"publicationDate":"2025-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144682051","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Electrochemical and Nanomaterial-Based Strategies for Nonenzymatic Glucose Detection: A Review. 基于电化学和纳米材料的非酶葡萄糖检测策略:综述。
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2025-07-21 DOI: 10.1002/open.202500304
Reagan Aviha, Gymama Slaughter
{"title":"Electrochemical and Nanomaterial-Based Strategies for Nonenzymatic Glucose Detection: A Review.","authors":"Reagan Aviha, Gymama Slaughter","doi":"10.1002/open.202500304","DOIUrl":"https://doi.org/10.1002/open.202500304","url":null,"abstract":"<p><p>Electrochemical glucose sensing technologies have undergone significant evolution, with continual advancements aimed at improving sensitivity, selectivity, and user convenience. This review systematically explores the development of emerging nonenzymatic glucose sensor designs. Nonenzymatic sensors are critically evaluated for their ability to overcome enzymatic limitations, leveraging novel materials and catalytic mechanisms. Additionally, the emergence of smartphone-integrated glucose monitoring systems is highlighted as the fifth generation, representing a paradigm shift toward personalized, real-time healthcare management. Emphasis is placed on the strategies employed to reduce the working electrode potential and enhance analytical performance. Key analytical metrics and real-sample applicability are evaluated, and persistent challenges including reliability, biocompatibility, and calibration-free operation are identified. Further, this review provides a critical perspective on the trajectory of electrochemical nonenzymatic glucose sensor technologies and outlines future directions toward the development of next-generation platforms for continuous and noninvasive glucose monitoring.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500304"},"PeriodicalIF":2.5,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144673945","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Exploring the Anticancer, Anti-Inflammatory, and Antibiofilm Efficacy of Endemic Stachys longiflora: Insights into the Phytochemical Composition. 探索特有植物长花石竹的抗癌、抗炎和抗生物膜作用:植物化学成分的见解。
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2025-07-20 DOI: 10.1002/open.202500146
Ecem Güldar, Sevim Feyza Erdoğmuş, Cengiz Sarikurkcu
{"title":"Exploring the Anticancer, Anti-Inflammatory, and Antibiofilm Efficacy of Endemic Stachys longiflora: Insights into the Phytochemical Composition.","authors":"Ecem Güldar, Sevim Feyza Erdoğmuş, Cengiz Sarikurkcu","doi":"10.1002/open.202500146","DOIUrl":"https://doi.org/10.1002/open.202500146","url":null,"abstract":"<p><p>This study investigates the phytochemical profile, antibiofilm, and anticancer properties of the endemic Stachys longiflora. Phytochemical analysis is performed using liquid chromatography coupled with electrospray ionization tandem mass spectrometry, identifying 19 compounds, with verbascoside as the major component (12 290 ± 21 μg g<sup>-1</sup>). The anticancer activity of the extract is assessed on MCF-7 breast cancer cells using the MTT assay. IC<sub>50</sub> value is determined to be 5 mg mL<sup>-1</sup>. Oxidative stress parameters, including total oxidant and antioxidant status, along with inflammatory cytokine levels, are measured in cell lysates. The cytokines TNF-α, TGF-β, DEF-β, and IL-1β are found to be elevated in all treatment groups compared to the control. Antibiofilm activity against Staphylococcus aureus ATCC 25923 is evaluated using the MTT method and scanning electron microscopy. The minimum inhibitory concentration of the plant extract is determined to be 250 μg mL<sup>-1</sup>. Biofilm inhibition and biofilm eradication increase in parallel with the concentration of the plant extract. At 2× MIC, biofilm inhibition and eradication are 74.37 ± 1.39% and 44.99 ± 1.03%, respectively. These findings highlight Stachys longiflora as a promising source of bioactive compounds with significant antibiofilm and anticancer properties.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500146"},"PeriodicalIF":2.5,"publicationDate":"2025-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144673966","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Advances in Molecularly Imprinted Polymers for Bone Biomarker Detection and Therapeutic Applications. 分子印迹聚合物在骨生物标志物检测及治疗中的应用进展。
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2025-07-17 DOI: 10.1002/open.202500127
Ren Yang, Xiaohan Ma, Mingcheng Xuan, Yingqi Ma, Jiexian Ding, David Y S Chau, Jonathan C Knowles, Feng Peng, Alessandro Poma
{"title":"Advances in Molecularly Imprinted Polymers for Bone Biomarker Detection and Therapeutic Applications.","authors":"Ren Yang, Xiaohan Ma, Mingcheng Xuan, Yingqi Ma, Jiexian Ding, David Y S Chau, Jonathan C Knowles, Feng Peng, Alessandro Poma","doi":"10.1002/open.202500127","DOIUrl":"https://doi.org/10.1002/open.202500127","url":null,"abstract":"<p><p>This review explores the application of molecularly imprinted polymers (MIPs) in detecting bone turnover biomarkers and advancing osteogenic treatment strategies. MIPs, designed to mimic biological recognition sites, offer innovative solutions for precise molecular recognition in bone health management. Chemical methodologies for MIPs synthesis and their integration into diagnostic systems for detecting bone resorption markers are highlighted. Furthermore, MIP-driven therapeutic advancements, including controlled drug release, cell imprinting for osteogenic differentiation, and functional scaffolds for tissue regeneration, are emphasized. This review underscores MIPs' potential to revolutionize bone disease management and calls for further exploration into chemical designs to optimize their clinical and practical applications.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500127"},"PeriodicalIF":2.5,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144658560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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 Docking and Dynamic Studies of Amide Derivatives from Cinnamic Acid with Potential Anti-Dengue Virus Activity". 具有潜在抗登革病毒活性的肉桂酸酰胺衍生物分子对接及动力学研究
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2025-07-16 DOI: 10.1002/open.202500107
Luis Alfonso Cárdenas-Granados, Manuel Alejandro Hernández-Serda, Omar Joel Villegas-Solís, Víctor Hugo Vázquez-Valadez, Aldo Yoshio Alarcón-López, Pablo A Martínez-Soriano, Jaqueline Ramos-Sánchez, Tannya Karen Castro-Jiménez, José Bustos-Arriaga, Enrique Angeles
{"title":"\"Molecular Docking and Dynamic Studies of Amide Derivatives from Cinnamic Acid with Potential Anti-Dengue Virus Activity\".","authors":"Luis Alfonso Cárdenas-Granados, Manuel Alejandro Hernández-Serda, Omar Joel Villegas-Solís, Víctor Hugo Vázquez-Valadez, Aldo Yoshio Alarcón-López, Pablo A Martínez-Soriano, Jaqueline Ramos-Sánchez, Tannya Karen Castro-Jiménez, José Bustos-Arriaga, Enrique Angeles","doi":"10.1002/open.202500107","DOIUrl":"https://doi.org/10.1002/open.202500107","url":null,"abstract":"<p><p>Dengue, classified as a neglected tropical disease and transmitted by Aedes mosquitoes, remains a significant global health challenge, often evolving into severe clinical manifestations such as hemorrhagic fever. Despite its widespread impact, no antiviral therapy has been approved to date, highlighting the urgent need for effective and accessible treatment options. In the present work, computational analysis is performed on an in-house library of easily synthesized caffeic acid phenethyl ester analogs, which exhibit potential activity against the viral envelope (E) protein, a critical mediator of dengue virus entry and membrane fusion. Among them, LQM778 demonstrated consistent stability within the protein-ligand complex during molecular dynamics simulations. This finding provides a foundation for in vitro studies and future structural optimizations that could transform the landscape of antiviral development against dengue.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500107"},"PeriodicalIF":2.5,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144641956","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Microwave-Assisted Synthesis of IrNi Electrocatalysts for the Oxygen Evolution Reaction in Acidic Electrolyte. 微波辅助合成酸性电解液析氧反应用Ir - apple - Ni电催化剂
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2025-07-16 DOI: 10.1002/open.202500279
Anna Giulia Cardone, Mattia Bartoli, Adriano Sacco, Candido Fabrizio Pirri, Marco Etzi
{"title":"Microwave-Assisted Synthesis of IrNi Electrocatalysts for the Oxygen Evolution Reaction in Acidic Electrolyte.","authors":"Anna Giulia Cardone, Mattia Bartoli, Adriano Sacco, Candido Fabrizio Pirri, Marco Etzi","doi":"10.1002/open.202500279","DOIUrl":"https://doi.org/10.1002/open.202500279","url":null,"abstract":"<p><p>This study investigates a microwave-assisted synthesis method for producing IrNi bimetallic catalysts for the oxygen evolution reaction in acidic environment. Due to the high cost of iridium-based catalysts used in the anodes of proton-exchange membrane electrolyzers, reducing the noble metal content while maintaining high performance is crucial. In this work, materials with various IrNi atomic ratios are synthesized and their impact on the catalyst microstructure, phase composition, and electrochemical performance is evaluated. The results reveal a synergistic effect between the two metals, with 60 at% Ni identified as the optimal nominal composition. This catalyst achieves an overpotential of 274 mV at 10 mA cm<sup>-2</sup> and a Tafel slope of 49 mV dec<sup>-1</sup> in 0.5 M H<sub>2</sub>SO<sub>4</sub> electrolyte, outperforming commercial IrO<sub>2</sub> (320 mV at 10 mA cm<sup>-2</sup> and 56 mV dec<sup>-1</sup>). The higher activity is retained after both a 6 h chronoamperometry and an accelerated degradation test, during which Ni acts as a sacrificial component and the electrochemically surface area of the films increases. Overall, this study demonstrates the potential of microwave-assisted synthesis, a greener and faster alternative to conventional methods, for developing low Ir-content catalysts with enhanced performance.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500279"},"PeriodicalIF":2.5,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144641957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Arenaria serpyllifolia as a Natural Antiviolaceum Agent: Phytochemical, Biological, and Molecular Approaches. 天然抗堇菜剂:植物化学、生物学和分子研究。
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2025-07-15 DOI: 10.1002/open.202500236
Meryem Burcu Külahcı, Betül Aydın, Emine Incilay Torunoğlu, Zekeriya Düzgün, Alper Durmaz, Erdi Can Aytar
{"title":"Arenaria serpyllifolia as a Natural Antiviolaceum Agent: Phytochemical, Biological, and Molecular Approaches.","authors":"Meryem Burcu Külahcı, Betül Aydın, Emine Incilay Torunoğlu, Zekeriya Düzgün, Alper Durmaz, Erdi Can Aytar","doi":"10.1002/open.202500236","DOIUrl":"https://doi.org/10.1002/open.202500236","url":null,"abstract":"<p><p>This study investigates the antioxidant, antimicrobial, antibiofilm, and antiquorum sensing activities of Arenaria serpyllifolia extract. A methanolic extract from the plant's above-ground parts is prepared via maceration. The extract exhibits strong antioxidant properties (DPPH IC<sub>50</sub>: 355.54 ± 20.62 μg mL<sup>-1</sup>) and iron chelating ability (IC<sub>50</sub>: 5.30 ± 4.44 mg mL<sup>-1</sup>). Total flavonoid and phenolic contents are 75.15 ± 2.73 mg quercetin equivalent g<sup>-1</sup> and 150.83 ± 11.24 mg gallic acid equivalent g<sup>-1</sup>, respectively. Antimicrobial tests show notable activity against Chromobacterium violaceum (minimal inhibitory concentration (MIC) < 5 mg mL<sup>-1</sup>). Antibiofilm effects are significant with 82.52% and 81.32% inhibition at MIC and sub-MIC levels. The extract also inhibits violacein production in the C. violaceum CV12472 strain (90.76% at MIC). Gas chromatography-mass spectrometry analysis identifies seven major compounds, including allyl isothiocyanate and levoglucosan. Molecular docking reveals levoglucosan as the most potent CviR receptor binder (-6.8 kcal mol<sup>-1</sup>). These interactions suggest possible quorum sensing inhibition via antagonism. Molecular dynamics simulations confirm the stability of the ligand-receptor complexes, highlighting guanosine and levoglucosan as promising leads for drug development.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500236"},"PeriodicalIF":2.5,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144636316","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Synthesis and Anticancer Potential of New Benzimidazole Theranostic. 新型苯并咪唑治疗剂的合成及其抗癌潜力。
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2025-07-15 DOI: 10.1002/open.202500263
Sahani Sandalima Uthumange, Muhammad Azri Faiz Bin Abdul Zaki, Keng Yoon Yeong
{"title":"Synthesis and Anticancer Potential of New Benzimidazole Theranostic.","authors":"Sahani Sandalima Uthumange, Muhammad Azri Faiz Bin Abdul Zaki, Keng Yoon Yeong","doi":"10.1002/open.202500263","DOIUrl":"https://doi.org/10.1002/open.202500263","url":null,"abstract":"<p><p>A series of novel benzimidazole analogs is designed, synthesized, and screened against a panel of selected cancer cell lines, including H103 (oral squamous cell carcinoma, OSCC), H314 (OSCC), and HCT116 (colorectal carcinoma). Structural characterization of the compounds is successfully confirmed using nuclear magnetic resonance spectroscopy (<sup>1</sup>H and <sup>13</sup>C) and liquid chromatography-mass spectrometry. Within the series, compound V7 emerged as a promising anticancer candidate, displaying broad-spectrum activity with high selectivity toward the tested cancer cell lines (half-maximal inhibitory concentration, IC<sub>50</sub>: H103 = 11.64 μM, H314 = 16.68 μM, HCT11 = 13.30 μM). Furthermore, the observed sirtuin 2 (SIRT2) inhibitory activity of V7 suggests a potential link to its anticancer effects. Molecular docking analysis reveals the importance of a hydroxyl group at the ortho position of the 2-phenyl ring in rendering SIRT2 inhibitory activity. Notably, the high autofluorescent properties of V7 (molar absorptivity ε = 34,477 M<sup>-1</sup> cm<sup>-1</sup>, quantum yield Φ = 26%, and Stokes shift Δλ = 166 nm) indicate potential for further development as a theranostic agent for cancer.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500263"},"PeriodicalIF":2.5,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144636318","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
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