Journal of Inorganic Biochemistry最新文献

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Coordination complexes of lanthanide(III) derived from 2-(pyridin-2-yl)-1H-benzo[d]imidazole (bimpy) and 2,2′-bipyridine (bpy): Spectroscopic analysis and cytotoxic evaluation 由2-(吡啶-2-酰基)- 1h -苯并[d]咪唑(bimpy)和2,2 ' -联吡啶(bpy)衍生的镧系元素(III)配位配合物:光谱分析和细胞毒性评价
IF 3.8 2区 化学
Journal of Inorganic Biochemistry Pub Date : 2025-07-03 DOI: 10.1016/j.jinorgbio.2025.112985
Luis E. Romero-Gutiérrez , Miguel A. Vergara-Rodríguez , J. Antonio Cruz-Navarro , Sharon Rosete-Luna , Aracely López-Monteon , Angel Ramos-Ligonio , Rodolfo Peña-Rodríguez , Silvia Castillo-Blum , Raúl Colorado-Peralta
{"title":"Coordination complexes of lanthanide(III) derived from 2-(pyridin-2-yl)-1H-benzo[d]imidazole (bimpy) and 2,2′-bipyridine (bpy): Spectroscopic analysis and cytotoxic evaluation","authors":"Luis E. Romero-Gutiérrez ,&nbsp;Miguel A. Vergara-Rodríguez ,&nbsp;J. Antonio Cruz-Navarro ,&nbsp;Sharon Rosete-Luna ,&nbsp;Aracely López-Monteon ,&nbsp;Angel Ramos-Ligonio ,&nbsp;Rodolfo Peña-Rodríguez ,&nbsp;Silvia Castillo-Blum ,&nbsp;Raúl Colorado-Peralta","doi":"10.1016/j.jinorgbio.2025.112985","DOIUrl":"10.1016/j.jinorgbio.2025.112985","url":null,"abstract":"<div><div>Seven novel coordination complexes (<strong>1</strong>–<strong>7</strong>) derived from trivalent lanthanides (La, Nd, Sm, Eu, Gd, Tb, Dy) and bidentate ligands 2,2′-bipyridine (<em>bpy</em>) and 2-(pyridin-2-yl)-1<em>H</em>-benzo[<em>d</em>]imidazole (<em>bimpy</em>) were synthesised. A series of analytical and spectroscopic techniques, including high-resolution mass spectrometry, unambiguously characterised all complexes. Using ligand mixtures to obtain coordination complexes with anticancer activity has shown promising results. Therefore, additional experiments were performed to evaluate the cytotoxic activity in non-transformed cells (NIH/3 T3 and J774A.1) and transformed cells (HeLa, Caco-2 and MCF-7), as well as erythrocyte lysis experiments in human red blood cells. The results revealed moderate but selective cytotoxicity against the studied cell lines. Additional PBE0/def2-SVP computational studies were carried out to elucidate the coordination number, geometry and structural organisation in agreement with the experimental data.</div></div>","PeriodicalId":364,"journal":{"name":"Journal of Inorganic Biochemistry","volume":"272 ","pages":"Article 112985"},"PeriodicalIF":3.8,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144570132","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Visible light-activated cobalt phthalocyanine/UiO-67 composite: A novel approach to photodynamic antibacterial therapy 可见光活化的酞菁钴/UiO-67复合材料:光动力抗菌治疗的新方法
IF 3.8 2区 化学
Journal of Inorganic Biochemistry Pub Date : 2025-07-02 DOI: 10.1016/j.jinorgbio.2025.112986
Anadil Gul , Munir Ahmad , Rizwan Ullah , Kamran Ullah , Yan Kang , Wenchao Liao
{"title":"Visible light-activated cobalt phthalocyanine/UiO-67 composite: A novel approach to photodynamic antibacterial therapy","authors":"Anadil Gul ,&nbsp;Munir Ahmad ,&nbsp;Rizwan Ullah ,&nbsp;Kamran Ullah ,&nbsp;Yan Kang ,&nbsp;Wenchao Liao","doi":"10.1016/j.jinorgbio.2025.112986","DOIUrl":"10.1016/j.jinorgbio.2025.112986","url":null,"abstract":"<div><div>Metallophthalocyanines (MPcs) are highly promising photosensitizers owing to their exceptional photoelectronic properties, yet their practical photocatalytic applications are often limited by strong π–π self-aggregation. In this study, we report a facile in situ strategy to incorporate cobalt phthalocyanine (CoPc) into the porous matrix of UiO-67 metal-organic frameworks (MOFs), effectively suppressing aggregation and enhancing photo-activity. The resulting composite, UCoP2–32, exhibited outstanding antibacterial photodynamic therapy (APDT) performance under visible light, achieving over 96 % inactivation of methicillin-resistant <em>Staphylococcus aureus</em> (MRSA) within 12 min of light exposure. Photophysical studies confirmed the efficient generation of both type-I and type-II reactive oxygen species (ROS), with superoxide and hydroxyl radicals predominating, and electron spin resonance (ESR) analysis supported this mechanism. Moreover, UCoP2–32 demonstrated excellent biocompatibility with minimal hemolysis (∼6.4 % at 110 μM) and structural stability. This work provides a robust and broadly applicable strategy for integrating MPcs into MOFs, offering significant potential for the development of high-performance photocatalytic materials in antimicrobial and other light-driven applications.</div></div>","PeriodicalId":364,"journal":{"name":"Journal of Inorganic Biochemistry","volume":"272 ","pages":"Article 112986"},"PeriodicalIF":3.8,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144623487","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Yeast hexokinase inactivation by lead and its reversion by magnesium as one possible aspect of lead toxicity 酵母己糖激酶的铅失活及其镁的还原可能是铅毒性的一个方面
IF 3.8 2区 化学
Journal of Inorganic Biochemistry Pub Date : 2025-06-26 DOI: 10.1016/j.jinorgbio.2025.112983
Rogelio Rodríguez-Sotres , Axel Blokesch , Carolina Moreno-Galván , Adrián Rodríguez-Vargas , Juvencio Robles , Minerva Martínez-Alfaro
{"title":"Yeast hexokinase inactivation by lead and its reversion by magnesium as one possible aspect of lead toxicity","authors":"Rogelio Rodríguez-Sotres ,&nbsp;Axel Blokesch ,&nbsp;Carolina Moreno-Galván ,&nbsp;Adrián Rodríguez-Vargas ,&nbsp;Juvencio Robles ,&nbsp;Minerva Martínez-Alfaro","doi":"10.1016/j.jinorgbio.2025.112983","DOIUrl":"10.1016/j.jinorgbio.2025.112983","url":null,"abstract":"<div><div>Epidemiological studies suggest a positive association between blood lead levels and fasting blood glucose levels (BGL). The link between glucose homeostasis and Pb exposure is unclear. BGL is the result of multiple processes involving many enzymes. One of the critical initial steps in cellular glucose metabolism is its phosphorylation by ATP, catalyzed by hexokinase (HK) or glucokinase in hepatocytes. This phosphorylation prevents glucose inside cells from diffusing back out and commits glucose to further intracellular processing.</div><div>The aim of this study is to analyze the effect of lead and other divalent metals in hexokinase (HK) enzyme activity <em>in vitro</em> to understand the toxic effect of lead on a Mg<sup>2+</sup>-dependent enzyme. The highest HK activity was observed in the presence of Mg in absence of Pb.</div><div>Our results show that lead inhibits HK in a time-dependent fashion, thus requiring several minutes of preincubation with Pb but without glucose. A modified non-competitive inhibition model is the best to describe this loss of activity. Mg is the only metal that partially reverted the lead dependent loss of HK activity. These results suggest that lead forms stable metal complexes which interact with different protein targets, some of them displace for Mg and others available in protein conformation without glucose. Data calculated at the DFT level of theory show that all Metal-ATP complexes promote the glucose phosphorylation. Inhibition does not seem to depend on the formation of a PbATP complex.</div></div>","PeriodicalId":364,"journal":{"name":"Journal of Inorganic Biochemistry","volume":"272 ","pages":"Article 112983"},"PeriodicalIF":3.8,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144597561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Proteomic profiling of parthanatos and the neuroprotective potential of sodium perborate tetrahydrate parthanatos的蛋白质组学分析和四水过硼酸钠的神经保护潜力
IF 3.8 2区 化学
Journal of Inorganic Biochemistry Pub Date : 2025-06-26 DOI: 10.1016/j.jinorgbio.2025.112984
Merve Gulsen Bal Albayrak , Sevinc Yanar , Tuğcan Korak , Gurler Akpinar , Murat Kasap
{"title":"Proteomic profiling of parthanatos and the neuroprotective potential of sodium perborate tetrahydrate","authors":"Merve Gulsen Bal Albayrak ,&nbsp;Sevinc Yanar ,&nbsp;Tuğcan Korak ,&nbsp;Gurler Akpinar ,&nbsp;Murat Kasap","doi":"10.1016/j.jinorgbio.2025.112984","DOIUrl":"10.1016/j.jinorgbio.2025.112984","url":null,"abstract":"<div><div>Parthanatos is a caspase-independent form of programmed cell death triggered by PARP-1 overactivation and mitochondrial dysfunction, implicated in neurodegenerative diseases. In this study, we performed a proteomic analysis of SH-SY5Y neuronal cells undergoing parthanatos and evaluated the neuroprotective effects of sodium perborate tetrahydrate (SPT), an inorganic boron-containing compound. LC-MS/MS analysis revealed significant alterations in mitochondrial respiration, DNA repair, and inflammatory signaling pathways. Proteins such as MT-CO2, CYC1, POLR2L, and SLC25A5 -implicated in Parkinson's and Huntington's disease pathways- were found to be dysregulated. SPT pre-treatment led to reduced PARP-1 activation, decreased DNA fragmentation, and improved cell viability. These findings suggest that boron-containing inorganics, as metalloids, can modulate molecular targets involved in neuronal survival. Our study contributes novel experimental evidence on the biochemical effects of boron compounds in neurodegenerative processes, complementing current research in metalloid-biomolecule interactions and supporting their potential utility in therapeutic development for neurodegenerative diseases.</div></div>","PeriodicalId":364,"journal":{"name":"Journal of Inorganic Biochemistry","volume":"271 ","pages":"Article 112984"},"PeriodicalIF":3.8,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144513852","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Cadmium(II) complexes with pyridine/dicarboxylic acid ligands as promising molecules for the treatment of oral candidiasis 镉(II)配合物与吡啶/二羧酸配体作为治疗口腔念珠菌病的有前途的分子
IF 3.8 2区 化学
Journal of Inorganic Biochemistry Pub Date : 2025-06-26 DOI: 10.1016/j.jinorgbio.2025.112980
Diana Liz Jimenez , Débora Taisa Keller da Silva , Talita da Paz Costa Sauda , Adriana Araújo de Almeida-Apolonio , Emanuele P.O. Roque , Pamella Fukuda de Castilho , João Víctor de Andrade dos Santos , Sidnei M. Silva , Lucas Pizzuti , Amilcar M. Junior , Victor M. Deflon , Kelly Mari Pires de Oliveira , Gleison Antônio Casagrande
{"title":"Cadmium(II) complexes with pyridine/dicarboxylic acid ligands as promising molecules for the treatment of oral candidiasis","authors":"Diana Liz Jimenez ,&nbsp;Débora Taisa Keller da Silva ,&nbsp;Talita da Paz Costa Sauda ,&nbsp;Adriana Araújo de Almeida-Apolonio ,&nbsp;Emanuele P.O. Roque ,&nbsp;Pamella Fukuda de Castilho ,&nbsp;João Víctor de Andrade dos Santos ,&nbsp;Sidnei M. Silva ,&nbsp;Lucas Pizzuti ,&nbsp;Amilcar M. Junior ,&nbsp;Victor M. Deflon ,&nbsp;Kelly Mari Pires de Oliveira ,&nbsp;Gleison Antônio Casagrande","doi":"10.1016/j.jinorgbio.2025.112980","DOIUrl":"10.1016/j.jinorgbio.2025.112980","url":null,"abstract":"<div><div>Overgrowth of <em>Candida</em> spp., known for its strong adhesion to biotic and abiotic surfaces, makes treatment difficult in denture stomatitis. To address this challenge, two novel cadmium(II) complexes containing 2,5-pyridinedicarboxylic acid (H<sub>2</sub>L) (complex <strong>1</strong> [Cd(HL)(H<sub>2</sub>O)(DMSO)I]<sub>2</sub> and [Cd(HL)(H<sub>2</sub>O)(bipy)I] complex <strong>2</strong>), were synthesized and fully characterized by X-ray diffractometry, HRMS-ESI (+) spectrometry, <sup>1</sup>H and <sup>13</sup>C NMR, FT-IR and elemental analysis. These complexes were evaluated for their antifungal, antibiofilm, hemolytic, and mutagenic properties. The interaction of these complexes with established antifungal agents was also investigated. Both complexes demonstrated remarkable antifungal activity, particularly against <em>C. albicans</em> and <em>C. krusei</em>, with MIC ranging from 62.5 (97.91 μM) to 0.48 (0.75 μM) μg/mL and MFC from 125 (195.82 μM) to 3.80 (5.95 μM) μg/mL. Furthermore, these complexes effectively inhibited <em>C. krusei</em> biofilm formation on prosthetic acrylic resin test specimens, with complex <strong>2</strong> showing superior activity. The complexes also displayed synergistic effects with fluconazole, furthermore, sorbitol assays have shown that cell wall is one of the targets of the tested complexes. Importantly, hemolysis assays indicated that the complexes were non-cytotoxic to human erythrocytes, and mutagenicity assays confirmed their non-mutagenic nature. These findings suggest that the synthesized cadmium(II) complexes, particularly complex <strong>2</strong>, possess significant potential as therapeutic agents for the treatment of denture stomatitis and oral candidiasis in general.</div></div>","PeriodicalId":364,"journal":{"name":"Journal of Inorganic Biochemistry","volume":"271 ","pages":"Article 112980"},"PeriodicalIF":3.8,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144501213","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Near-infrared activation of upconversion platforms for non-redox-dependent release of Pt(II) Pt(II)非氧化还原依赖性上转换平台的近红外活化研究
IF 3.8 2区 化学
Journal of Inorganic Biochemistry Pub Date : 2025-06-24 DOI: 10.1016/j.jinorgbio.2025.112982
Marc-Ricard Batten , Josep Antoni Gutiérrez-Orgaz , Fernando Eduardo Maturi , Luís Dias Carlos , Helena Oliveira , Jordi Hernando , Fernando Novio , Antonio Rodríguez-Diéguez , Mercè Capdevila , Òscar Palacios , Pau Bayón
{"title":"Near-infrared activation of upconversion platforms for non-redox-dependent release of Pt(II)","authors":"Marc-Ricard Batten ,&nbsp;Josep Antoni Gutiérrez-Orgaz ,&nbsp;Fernando Eduardo Maturi ,&nbsp;Luís Dias Carlos ,&nbsp;Helena Oliveira ,&nbsp;Jordi Hernando ,&nbsp;Fernando Novio ,&nbsp;Antonio Rodríguez-Diéguez ,&nbsp;Mercè Capdevila ,&nbsp;Òscar Palacios ,&nbsp;Pau Bayón","doi":"10.1016/j.jinorgbio.2025.112982","DOIUrl":"10.1016/j.jinorgbio.2025.112982","url":null,"abstract":"<div><div>Upconversion nanoparticles (UCNPs) are a class of interesting nanomaterials with unique multi-photon excitation photoluminescence properties, and they have been intensively explored as novel contrast agents for biomedical imaging and drug delivery. The development of photoinduced drug-release devices has been intensively developed in the last years, specially using UCNPs due to their properties to absorb single-band near infrared (NIR) light and subsequently emit high-energy UV-to-visible light which could photoactivate several prodrugs. Some examples of Pt(II) release have been described, all of them from Pt(IV) complexes taking advantage of the Pt(IV)/(II) redox couple. In this work, NIR light-responsive LiYF<sub>4</sub>:Yb/Tm UCNPs are presented as carrier systems to exert photoinduced Pt(II) drug release. For this, the surface of UCNPs were coated with an amphiphilic polymer to convert hydrophobic nanoparticles into hydrophilic and to load novel Pt(II) complexes. It is demonstrated that NIR radiation-induced Pt(II) drug release can be achieved without the need to use the Pt(IV)/(II) redox couple as a trigger. In this way, under NIR excitation, UCNPs can transform NIR irradiation into UV radiation which causes direct Pt(II) drug release in a spatial and temporal control manner. The release process has been monitored in real-time. Two platforms containing two different Pt(II) complexes have been studied, both showing similar results in terms of the enhancement of toxicity caused by the increase in Pt(II) concentration. Furthermore, a significant improvement of cytotoxicity against melanoma A375 cells was observed after irradiation of these platforms, confirming the feasibility of the proposed upconversion process to release Pt(II).</div></div>","PeriodicalId":364,"journal":{"name":"Journal of Inorganic Biochemistry","volume":"271 ","pages":"Article 112982"},"PeriodicalIF":3.8,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144518948","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Targeting DNA mismatches with metal complexes 靶向与金属配合物不匹配的DNA
IF 3.8 2区 化学
Journal of Inorganic Biochemistry Pub Date : 2025-06-24 DOI: 10.1016/j.jinorgbio.2025.112977
Natália Kolozsvári, Martin R. Gill
{"title":"Targeting DNA mismatches with metal complexes","authors":"Natália Kolozsvári,&nbsp;Martin R. Gill","doi":"10.1016/j.jinorgbio.2025.112977","DOIUrl":"10.1016/j.jinorgbio.2025.112977","url":null,"abstract":"<div><div>DNA mismatches are non Watson-Crick base pairs that arise from errors during replication or are the result of DNA damage. Normally repaired by the mismatch mediated repair (MMR) pathway, in cancers deficient in MMR, such as subsets of colorectal and endometrial cancers, mismatches persist and accumulate, providing a biochemical vulnerability creating a target for small-molecule intervention. This review explores how metal complexes employing rhodium(III), ruthenium(II) or platinum(II) centres can exploit this molecular distinction to preferentially bind mismatch sites in DNA. We discuss the potential of this interaction to act as a foundation for next-generation therapeutics and imaging probes where the unique structural, electronic, and photophysical properties of metal complexes and associated ligand design offer opportunities to differentiate between canonical and mismatched DNA with high selectivity.</div></div>","PeriodicalId":364,"journal":{"name":"Journal of Inorganic Biochemistry","volume":"271 ","pages":"Article 112977"},"PeriodicalIF":3.8,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144513853","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Alternative zinc binding peptides as potential tags for recombinant protein purification 锌结合肽作为重组蛋白纯化的潜在标签
IF 3.8 2区 化学
Journal of Inorganic Biochemistry Pub Date : 2025-06-23 DOI: 10.1016/j.jinorgbio.2025.112981
Richmond A. Adomako, Michael B. Owusu, Airam Cordova, Laurence A. Angel
{"title":"Alternative zinc binding peptides as potential tags for recombinant protein purification","authors":"Richmond A. Adomako,&nbsp;Michael B. Owusu,&nbsp;Airam Cordova,&nbsp;Laurence A. Angel","doi":"10.1016/j.jinorgbio.2025.112981","DOIUrl":"10.1016/j.jinorgbio.2025.112981","url":null,"abstract":"<div><div>Efficient binding of peptides and proteins to metal-chelating resins is a cornerstone of modern biochemical purification. This study evaluates a novel heptapeptide sequence, acetyl-Aa<sub>1</sub>-Aa<sub>2</sub>-Gly<sub>3</sub>-Pro<sub>4</sub>-Aa<sub>5</sub>-His<sub>6</sub>-Cys<sub>7</sub>, where Aa<sub>1</sub> = His<sub>1</sub> or Asp<sub>1</sub>, Aa<sub>2</sub> = Cys<sub>2</sub> or Asp<sub>2</sub> and Aa<sub>5</sub> = Tyr<sub>5</sub> or Gly<sub>5</sub> for its capacity to bind zinc-chelating resin consisting of divalent zinc chelated by iminodiacetate coupled to 6 % cross-linked agarose beads. Comparisons were made against the widely utilized 7 × His tag using an internal standard method with ion mobility – mass spectrometry analyses and ultra-violet absorption analyses, which quantified the binding efficiency and selectivity of these peptides under pH 8 conditions and the elution from the zinc resin using pH 3.9 or excess imidazole. Results revealed that the heptapeptides acetyl-His<sub>1</sub>-Cys<sub>2</sub>-Gly<sub>3</sub>-Pro<sub>4</sub>-Tyr<sub>5</sub>-His<sub>6</sub>-Cys<sub>7</sub>, exhibited binding performance to the zinc chelating resin with conditions commonly used with immobilized metal affinity chromatography and efficient elution from the zinc resin at pH 3.9 or with excess imidazole, suggesting that this heptapeptide has potential as an alternative to polyhistidine tags in affinity-based purification workflows.</div></div>","PeriodicalId":364,"journal":{"name":"Journal of Inorganic Biochemistry","volume":"271 ","pages":"Article 112981"},"PeriodicalIF":3.8,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144501212","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
The binding of kojic acid dimer and its Zn(II) and Cu(II) complexes at the beta-amyloid peptide: A DFT-based computational assessment 曲酸二聚体及其Zn(II)和Cu(II)配合物在β -淀粉样肽上的结合:基于dft的计算评估
IF 3.8 2区 化学
Journal of Inorganic Biochemistry Pub Date : 2025-06-20 DOI: 10.1016/j.jinorgbio.2025.112979
Iogann Tolbatov , Tiziano Marzo , Massimiliano Peana , Serenella Medici , Maria Antonietta Zoroddu , Diego La Mendola , Alessandro Marrone
{"title":"The binding of kojic acid dimer and its Zn(II) and Cu(II) complexes at the beta-amyloid peptide: A DFT-based computational assessment","authors":"Iogann Tolbatov ,&nbsp;Tiziano Marzo ,&nbsp;Massimiliano Peana ,&nbsp;Serenella Medici ,&nbsp;Maria Antonietta Zoroddu ,&nbsp;Diego La Mendola ,&nbsp;Alessandro Marrone","doi":"10.1016/j.jinorgbio.2025.112979","DOIUrl":"10.1016/j.jinorgbio.2025.112979","url":null,"abstract":"<div><div>The increasing number of people afflicted by Alzheimer's disease in the world requires a constant intensification of the efforts to seek for new agents capable of dismantling the molecular mechanisms underlying the onset and development of this neurodegenerative disorder. In this study, the binding of kojic acid dimer (KAD), and its adducts with Zn(II) and Cu(II) to the beta-amyloid peptide (Aβ) have been investigated by means of density functional theory-based computational approaches. We envisioned that the capability of KAD to inhibit the amyloid cascade may be exerted in concomitance and/or supported by the coordination of either Zn(II) or Cu(II). Thus, the structure and binding features of KAD-Zn and KAD-Cu metal complexes were computationally assessed to gain an atomistic insight of the possible Aβ inhibition. Our calculations evidenced that Zn(II), but not Cu(II), might act in concert with KAD in the binding of the Aβ peptide. Furthermore, we identified the Aβ<sub>13</sub><sub>–</sub><sub>20</sub> region as a plausible binding site for KAD and KAD-Zn complexes, emphasizing its relevance for future experimental studies.</div></div>","PeriodicalId":364,"journal":{"name":"Journal of Inorganic Biochemistry","volume":"271 ","pages":"Article 112979"},"PeriodicalIF":3.8,"publicationDate":"2025-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144471792","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 properties of indenyl and allyl palladates through their interaction with nucleic acids 通过与核酸的相互作用,探索芳香酸酯的抗癌特性
IF 3.8 2区 化学
Journal of Inorganic Biochemistry Pub Date : 2025-06-18 DOI: 10.1016/j.jinorgbio.2025.112978
Tommaso Giani , Giannantonio Tomasi , Pablo A. Nogara , Laura Orian , Fabiano Visentin , Thomas Scattolin , Tarita Biver
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