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Antiproliferative Effect of Okra Seed Protein Isolate against HepG2 and A549 Cell Lines 秋葵种子分离蛋白对HepG2和A549细胞株的抗增殖作用。
IF 2.5 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-01-08 DOI: 10.1002/cbdv.202502686
Letisha Maistry, Abe Shegro Gerrano, John J. Mellem

Cancer is a non-communicable disease and is one of the leading causes of mortality worldwide. While plant-derived compounds have exhibited promise in cancer therapy, the biological activity of okra seed protein isolate (OSPI) has not been extensively explored. The present study evaluates the antiproliferative effect of OSPI against human liver hepatocellular carcinoma (HepG2) and lung adenocarcinoma (A549) cancer cell lines using in vitro assays. The protein isolate exhibited cytotoxic effects by reducing A549 cell viability significantly (37.73%), with an IC50 of 21.80 µg/mL, lower than that of a known chemopreventive agent, camptothecin (524.85 µg/mL). Additionally, defatted okra flour (DOF) exhibited potent activity (168.37 µg/mL), suggesting that lower doses could effectively inhibit A549 proliferation. In HepG2 cells, OSPI activated caspase 3/7, 8, and 9, indicating apoptosis via intrinsic and extrinsic pathways. Furthermore, OSPI (36.06 µg/mL) and DOF (34.68 µg/mL) elevated p53 expression in A549 cells, suggesting p53-mediated apoptosis. In addition, reactive oxygen species induction by OF further supports its pro-apoptotic potential. These findings underscore the therapeutic potential of OSPI, demonstrating its efficacy at lower doses compared to conventional therapeutics, supporting its future development as a plant-based antiproliferative agent. The study provides foundational evidence for the application of OSPI in the pharmaceutical and nutraceutical industries.

癌症是一种非传染性疾病,是全世界死亡的主要原因之一。虽然植物来源的化合物在癌症治疗中显示出前景,但秋葵种子分离蛋白(OSPI)的生物活性尚未得到广泛探索。本研究通过体外实验评价了OSPI对人肝细胞癌(HepG2)和肺腺癌(A549)细胞系的抗增殖作用。该蛋白分离物可显著降低A549细胞活力(37.73%),IC50为21.80µg/mL,低于已知化学预防剂喜树碱(524.85µg/mL)。此外,脱脂秋葵粉(DOF)表现出强大的活性(168.37µg/mL),表明低剂量可以有效抑制A549的增殖。在HepG2细胞中,OSPI激活了caspase 3/ 7,8和9,表明凋亡通过内源性和外源性途径进行。此外,OSPI(36.06µg/mL)和DOF(34.68µg/mL)升高了A549细胞中p53的表达,提示p53介导细胞凋亡。此外,OF诱导活性氧进一步支持其促凋亡潜能。这些发现强调了OSPI的治疗潜力,证明了与传统治疗方法相比,OSPI在较低剂量下的疗效,支持了其作为植物性抗增殖药物的未来发展。本研究为OSPI在医药和营养保健行业的应用提供了基础依据。
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引用次数: 0
Effective Removal of Paracetamol From Aqueous Solutions Using Bio-Derived Polymeric Particles From Okra Waste 利用秋葵废弃物的生物聚合颗粒有效去除水溶液中的扑热息痛。
IF 2.5 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-01-08 DOI: 10.1002/cbdv.202501169
Rezan Orhan, Abdullah Turan, Tuba Ersen Dudu, Duygu Alpaslan, Nahit Aktas

As pharmaceutical consumption rises globally, the environmental presence of stable drugs like paracetamol (PCM) has become a growing concern. In this study, bio-based polymeric particles synthesized from okra waste were investigated for the first time as a novel sorbent for PCM removal from aqueous media. Okra extract obtained from food processing waste was used to prepare p(Okra)/Cu composite particles via redox polymerization in an emulsion system. Structural and physicochemical characterizations, including scanning electron microscopy (SEM), Fourier transform infrared (FT-IR) spectroscopy, Brunauer–Emmett–Teller (BET) surface area analysis, thermogravimetric analysis (TGA), dynamic light scattering (DLS), and zeta potential analyses, confirmed the successful formation of the sorbent material. Sorption behavior was assessed using isotherm, and thermodynamic models. The maximum sorption capacities were 1350 mg/g for p(Okra)/Cu3 and 1300 mg/g for p(Okra)/Cu7. Thermodynamic evaluations indicated a spontaneous and exothermic process, with negative ΔS° values suggesting decreased disorder at the solid–liquid interface. This study demonstrates the effectiveness of okra waste-derived particles as a low-cost, eco-friendly, and efficient solution for pharmaceutical removal. The results highlight the potential of agricultural waste valorization in the development of sustainable materials for wastewater treatment.

随着全球药品消费量的增加,扑热息痛(PCM)等稳定药物在环境中的存在日益受到关注。本研究首次研究了以秋葵废料为原料合成的生物基聚合物颗粒作为新型吸附剂去除水中的PCM。以食品加工废弃物中的秋葵提取物为原料,在乳液体系中通过氧化还原聚合制备p(秋葵)/Cu复合颗粒。结构和物理化学表征,包括扫描电子显微镜(SEM)、傅里叶变换红外(FT-IR)光谱、布鲁诺尔-埃米特-泰勒(BET)表面积分析、热重分析(TGA)、动态光散射(DLS)和zeta电位分析,证实了吸附材料的成功形成。采用等温线和热力学模型评估吸附行为。p(Okra)/Cu3和p(Okra)/Cu7的最大吸附量分别为1350 mg/g和1300 mg/g。热力学评价表明这是一个自发的放热过程,负ΔS°值表明固液界面的无序性降低。本研究证明了秋葵废弃物衍生颗粒作为一种低成本、环保和高效的药物去除解决方案的有效性。研究结果强调了农业废物增值在废水处理可持续材料开发中的潜力。
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引用次数: 0
Chemical Profiling and Multi-Target Bioactivities of Erodium guttatum From Northeastern Algeria: LC–MS/MS and Molecular Docking Insights 阿尔及利亚东北部褐花紫菀的化学特征及多靶点生物活性:LC-MS/MS和分子对接研究
IF 2.5 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-01-08 DOI: 10.1002/cbdv.202502286
Ismahan Ounissi, Souheila Slimani, Taha Menasria, Jihane Bounaas, Sahra Amel Belambri, Chawki Bensouici

This study aimed to characterize the phytochemical composition and evaluate the biological activities of the hydroethanolic extract of Erodium guttatum (HEE) from Algeria. Liquid chromatography–electrospray ionization-mass spectrometry (LC–ESI-MS/MS) analysis identified 16 phenolic compounds, with shikimic acid, gallic acid, luteolin, and isoquercitrin as the main components. The extract showed high levels of total phenolics (208.09 ± 0.25 µg GAE/mg), flavonoids (97.07 ± 1.4 µg QE/mg), and flavonols (78.27 ± 0.05 µg QE/mg). Antioxidant assays revealed strong activity with IC50 values of 3.88 ± 0.03 µg/mL (1,1-diphenyl-2-picrylhydrazyl [DPPH]), 6.33 ± 0.13 µg/mL (2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic) acid [ABTS]), and A0.5 = 10.11 ± 0.53 µg/mL (ferric reducing antioxidant power [FRAP]). The HEE extract exhibited inhibitory activity against butyrylcholinesterase (IC50 = 21.42 ± 0.41 µg/mL) and high photoprotective potential, with a sun protection factor (SPF) of 43.23 ± 0.05. Antimicrobial tests revealed broad-spectrum activity, particularly against Listeria monocytogenes (minimum inhibitory concentration [MIC] = 0.35 mg/mL). In vivo experiments showed a significant analgesic effect after 1 h (200 mg/kg) and anti-inflammatory efficacy in the formalin-induced paw edema model (p < 0.001). Molecular docking revealed strong binding affinities between major compounds and key targets, including phospholipase, listeriolysin O, internalin, sortase B, collagenase-1, TNF-α, and cyclooxygenase-2. Overall, E. guttatum emerges as a promising natural source of bioactive compounds with potential pharmaceutical, cosmetic, and food applications.

本研究旨在研究阿尔及利亚紫堇(Erodium guttatum, HEE)水乙醇提取物的植物化学成分,并对其生物活性进行评价。液相色谱-电喷雾电离-质谱(LC-ESI-MS/MS)分析鉴定出16种酚类化合物,主要成分为莽草酸、没食子酸、木犀草素和异槲皮苷。提取物中总酚(208.09±0.25µg GAE/mg)、总黄酮(97.07±1.4µg QE/mg)、黄酮醇(78.27±0.05µg QE/mg)含量较高。抗氧化活性较强,IC50值为3.88±0.03µg/mL(1,1-二苯基-2-吡啶肼[DPPH]), 6.33±0.13µg/mL(2,2'-氮基-双(3-乙基苯并噻唑-6-磺酸)酸[ABTS]), A0.5 = 10.11±0.53µg/mL(铁还原抗氧化能力[FRAP])。该提取物对丁基胆碱酯酶具有抑制作用(IC50 = 21.42±0.41µg/mL),具有较高的光防护能力,防晒系数(SPF)为43.23±0.05。抗菌试验显示广谱活性,特别是对单核增生李斯特菌(最小抑制浓度[MIC] = 0.35 mg/mL)。体内实验显示,福尔马林对1 h (200 mg/kg)足跖水肿模型具有明显的镇痛作用和抗炎作用(p
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引用次数: 0
ent-Atisane Diterpenoids From Euphorbia micractina and Their Cytotoxic Activity 大戟中正atisane二萜及其细胞毒活性研究。
IF 2.5 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-01-08 DOI: 10.1002/cbdv.202503775
Yang-Cuo Banma, Mei-Lian Wen, Ao Yang, Hao-Nan Zhang, Jiang Wu, Peng-Cheng Lin, Jian-Jun Chen

Three new ent-atisane diterpenoids (13) and five known ones (48) were obtained from the bioactive fraction of E. micractina. Their structures and absolute configurations were elucidated by a comprehensive analysis of the spectroscopic data, including high-resolution electrospray ionization mass spectrometry, infrared, nuclear magnetic resonance, X-ray crystallography, and electronic circular dichroism data. Among them, compound 1 was the first example of an ent-atisane diterpenoid with an α-oriented hydroxyl group at C-7. In addition, the cytotoxicity of all the isolated ent-atisane diterpenoids was evaluated against human cervical carcinoma, human acute promyelocytic leukemia, and human hepatoma cell lines. Compound 3 demonstrated significant cytotoxic activity against the selected cell lines with an IC50 value from 7.5 to 10.1 µM.

结果表明,从小叶莲的生物活性部位分离得到3个新化合物(1-3)和5个已知化合物(4-8)。通过对高分辨率电喷雾电离质谱、红外、核磁共振、x射线晶体学和电子圆二色性等光谱数据的综合分析,阐明了它们的结构和绝对构型。其中,化合物1是第一个在C-7上具有α取向羟基的正atisane二萜。此外,所有分离的正atisane二萜对人宫颈癌、人急性早幼粒细胞白血病和人肝癌细胞系的细胞毒性进行了评估。化合物3对所选细胞系具有显著的细胞毒活性,IC50值为7.5 ~ 10.1µM。
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引用次数: 0
Microbial Chemical Diversity and Cytotoxic Potential From Brazilian Ferruginous Caves: A Pioneering Metabolomic Survey 巴西含铁洞穴的微生物化学多样性和细胞毒性潜力:一项开创性的代谢组学调查。
IF 2.5 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-01-08 DOI: 10.1002/cbdv.202502912
Natália Naomi Kato, Aline Figueiredo Cardoso, Bianca Del Bianco Sahm, Letícia Veras Costa-Lotufo, José Augusto Pires Bitencourt, Norberto Peporine Lopes

Cave microbiomes represent a rich yet understudied source of chemical diversity with biotechnological properties. Microorganisms in these environments thrive under extreme conditions such as darkness, oligotrophy, and high concentrations of inorganic matter like iron ore. In this study, sediment samples were collected from the aphotic zone of a ferruginous cave in the National Forest of Carajás (Brazilian Amazon). Eight bacterial strains were isolated and taxonomically classified using 16S rRNA gene sequencing, revealing five genera: Serratia, Bacillus, Enterococcus, Aneurinibacillus, and Comamonas. Crude extracts from liquid cultures were analyzed using untargeted LC–MS/MS and processed through feature-based molecular networking on the GNPS platform. The resulting network highlighted the production of structurally similar compound classes across different genera, including cyclopeptides, cholic acid derivatives, and indole alkaloids. Crude extracts were tested for cytotoxicity against HCT-116 and 501mel tumor cell lines, with significant inhibition observed for extracts from Aneurinibacillus, Comamonas, and Enterococcus. Multivariate analysis linked cyclopeptide derivatives to cytotoxic activity. This study offers one of the first insights into the chemical potential of cave-dwelling bacteria in Brazil and underscores their promise for future biotechnological exploration.

洞穴微生物群是一种丰富但尚未得到充分研究的具有生物技术特性的化学多样性来源。这些环境中的微生物在极端条件下茁壮成长,如黑暗、寡营养和高浓度的无无机物质,如铁矿石。在这项研究中,沉积物样本是从Carajás国家森林(巴西亚马逊)的一个含铁洞穴的暗溶区收集的。通过16S rRNA基因测序对8株菌株进行分类,鉴定为5属:沙雷氏菌属、芽孢杆菌属、肠球菌属、动脉瘤杆菌属和单胞菌属。采用非靶向LC-MS/MS对液体培养物粗提物进行分析,并在GNPS平台上通过基于特征的分子网络进行处理。由此产生的网络强调了不同属中结构相似的化合物类别的生产,包括环肽,胆酸衍生物和吲哚生物碱。粗提取物对HCT-116和501mel肿瘤细胞系的细胞毒性测试,对动脉瘤杆菌、单胞菌和肠球菌提取物有明显的抑制作用。多变量分析将环肽衍生物与细胞毒性活性联系起来。这项研究首次深入了解了巴西穴居细菌的化学势,并强调了它们对未来生物技术探索的前景。
{"title":"Microbial Chemical Diversity and Cytotoxic Potential From Brazilian Ferruginous Caves: A Pioneering Metabolomic Survey","authors":"Natália Naomi Kato,&nbsp;Aline Figueiredo Cardoso,&nbsp;Bianca Del Bianco Sahm,&nbsp;Letícia Veras Costa-Lotufo,&nbsp;José Augusto Pires Bitencourt,&nbsp;Norberto Peporine Lopes","doi":"10.1002/cbdv.202502912","DOIUrl":"10.1002/cbdv.202502912","url":null,"abstract":"<p>Cave microbiomes represent a rich yet understudied source of chemical diversity with biotechnological properties. Microorganisms in these environments thrive under extreme conditions such as darkness, oligotrophy, and high concentrations of inorganic matter like iron ore. In this study, sediment samples were collected from the aphotic zone of a ferruginous cave in the National Forest of Carajás (Brazilian Amazon). Eight bacterial strains were isolated and taxonomically classified using 16S rRNA gene sequencing, revealing five genera: <i>Serratia</i>, <i>Bacillus</i>, <i>Enterococcus</i>, <i>Aneurinibacillus</i>, and <i>Comamonas</i>. Crude extracts from liquid cultures were analyzed using untargeted LC–MS/MS and processed through feature-based molecular networking on the GNPS platform. The resulting network highlighted the production of structurally similar compound classes across different genera, including cyclopeptides, cholic acid derivatives, and indole alkaloids. Crude extracts were tested for cytotoxicity against HCT-116 and 501mel tumor cell lines, with significant inhibition observed for extracts from <i>Aneurinibacillus</i>, <i>Comamonas</i>, and <i>Enterococcus</i>. Multivariate analysis linked cyclopeptide derivatives to cytotoxic activity. This study offers one of the first insights into the chemical potential of cave-dwelling bacteria in Brazil and underscores their promise for future biotechnological exploration.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 1","pages":""},"PeriodicalIF":2.5,"publicationDate":"2026-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12781163/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145932359","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Inhibitory Effects and Mechanisms of Athyrium multidentatum Against Staphylococcus aureus and Bacillus cereus 多齿胸腺对金黄色葡萄球菌和蜡样芽孢杆菌的抑制作用及其机制。
IF 2.5 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-01-08 DOI: 10.1002/cbdv.202503296
Jia Yang, Xin Jin, Fang Mo, Yi-Ran Liang, Qi-Chao Cui, Jun Jiang, Hong-Jie Piao

Athyrium multidentatum, a perennial herb used as a traditional wild vegetable, has antioxidant and anti-inflammatory activities, but its full bioactivity spectrum remains unstudied. To expand its application, this study explored its inhibition capacity against foodborne bacteria, aiming to identify candidates for natural antimicrobial preservatives and provide a basis for comprehensive utilization. A. multidentatum extract (AME) was analyzed for flavonoid profile via LC–MS. Its antibacterial activity was assessed by determining minimum inhibitory concentration (MIC) using the 2,3,5-triphenyltetrazolium chloride assay. AME's effects on bacterial cell membrane permeability, respiratory inhibition, and metabolic pathways were analyzed via conductivity measurements, spectrophotometry, SDS-PAGE, and scanning electron microscopy. AME exhibited inhibitory effects against Staphylococcus aureus and Bacillus cereus, with MIC values of 4 mg/mL for S. aureus and 8 mg/mL for B. cereus. The extract increased leakage of alkaline phosphatase, electrolytes, nucleic acids, and proteins (indicating disrupted cell permeability) and inhibited bacterial respiration, mainly by disrupting the glycolysis pathway. Thus, A. multidentatum shows potential for developing natural antimicrobials and food preservatives.

多齿胸草是一种传统的多年生草本植物,具有抗氧化和抗炎活性,但其完整的生物活性谱尚未研究。为扩大其应用范围,本研究探索其对食源性细菌的抑制能力,旨在筛选天然抗菌防腐剂候选物,为其综合利用提供依据。采用LC-MS分析了多齿藤提取物(AME)的类黄酮谱。采用2,3,5-三苯基四唑氯法测定其最低抑菌浓度(MIC),评价其抑菌活性。通过电导率测量、分光光度法、SDS-PAGE和扫描电镜分析了AME对细菌细胞膜通透性、呼吸抑制和代谢途径的影响。AME对金黄色葡萄球菌和蜡样芽孢杆菌均有抑制作用,对金黄色葡萄球菌和蜡样芽孢杆菌的MIC值分别为4 mg/mL和8 mg/mL。该提取物增加碱性磷酸酶、电解质、核酸和蛋白质的渗漏(表明细胞渗透性被破坏),抑制细菌呼吸,主要是通过破坏糖酵解途径。因此,多齿草具有开发天然抗菌剂和食品防腐剂的潜力。
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引用次数: 0
Green Drug Discovery: Leveraging Biodiversity for Sustainable Pharmaceutical Solutions 绿色药物发现:利用生物多样性实现可持续的药物解决方案。
IF 2.5 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-01-08 DOI: 10.1002/cbdv.202500733
Arshdeep Singh, Rabin Debnath, Viney Chawla, Pooja A. Chawla

The pharmaceutical industry is undergoing a crucial transformation toward sustainability, driven by the urgent need to reduce environmental harm while maintaining innovation in drug discovery and development. Next-generation green pharma integrates biodiversity, green chemistry, biotechnology, and artificial intelligence (AI) to create more eco-friendly and efficient drug production processes. Nature remains a vast source of bioactive compounds, with plants, microbes, and marine organisms offering promising therapeutic potential. Advances in synthetic biology, CRISPR gene editing and metabolic engineering enable the sustainable synthesis of natural compounds, reducing reliance on resource-intensive extraction methods. In addition, green chemistry techniques, such as biocatalysis and supercritical fluid extraction, minimize hazardous waste and lower energy consumption. AI and machine learning accelerate drug discovery by efficiently identifying novel compounds, reducing the need for traditional, time-consuming experimental methods. However, the shift to sustainable pharma faces challenges, including ethical concerns over bioprospecting, conservation efforts, and fair benefit-sharing of biodiversity resources. As industries and policymakers increasingly focus on sustainability, the pharmaceutical sector is poised to embrace greener practices, ensuring both human health advancements and environmental protection. This paper explores the transformative potential of green pharmaceuticals and their role in shaping a sustainable future for medicine.

由于迫切需要减少对环境的危害,同时保持药物发现和开发的创新,制药业正在经历向可持续发展的关键转变。下一代绿色制药将生物多样性、绿色化学、生物技术和人工智能(AI)结合在一起,创造更环保、更高效的药物生产过程。自然界仍然是生物活性化合物的巨大来源,植物、微生物和海洋生物提供了有希望的治疗潜力。合成生物学、CRISPR基因编辑和代谢工程的进步使天然化合物的可持续合成成为可能,减少了对资源密集型提取方法的依赖。此外,绿色化学技术,如生物催化和超临界流体萃取,最大限度地减少危险废物和降低能源消耗。人工智能和机器学习通过有效地识别新化合物来加速药物发现,减少了对传统、耗时的实验方法的需求。然而,向可持续制药的转变面临着挑战,包括对生物勘探、保护努力和生物多样性资源的公平利益分享的伦理问题。随着行业和政策制定者越来越关注可持续性,制药行业准备接受更环保的做法,确保人类健康的进步和环境保护。本文探讨了绿色药品的变革潜力及其在塑造医学可持续未来中的作用。
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引用次数: 0
Phenolic Profile and In Vitro Anti-Inflammatory Activities of Salvia officinalis L. Hydrodistillation Wastewater 丹参加氢蒸馏废水酚类成分及体外抗炎活性研究。
IF 2.5 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-01-08 DOI: 10.1002/cbdv.202502271
Maria Sofia Molonia, Federica Lina Salamone, Francesco Cimino, Manuela D'Arrigo, Mariateresa Cristani, Luana Pulvirenti, Antonella Saija, Antonio Speciale, Edoardo Napoli

Salvia officinalis L. essential oil production process generates an exhausted residue of vegetable biomass, returned by hydrodistillation, along with a variable amount of wastewater enriched in water-soluble compounds of high added value and biological activity. The aim of this study was to investigate the in vitro anti-inflammatory effects of S. officinalis L. hydrodistillation wastewater using murine macrophage Raw 264.7 cells stimulated with Escherichia coli lipopolysaccharide (LPS) and human intestinal epithelial Caco-2 cells exposed to E. coli. Polyphenolic compounds in wastewater were identified by high-performance liquid chromatography-mass spectrometry analysis, confirming the presence of organic acids (particularly hydroxycinnamic acids), flavones, and flavonols. This phytocomplex protected Raw 264.7 from E. coli LPS-induced inflammation by reducing nuclear factor kappa B nuclear translocation and its transcriptional activity (interleukin [IL]-6, IL-8, and tumor necrosis factor-alpha messenger RNA levels). Additionally, the wastewater reduced cyclooxygenase-2 protein expression in Caco-2 cells challenged with E. coli. Interestingly, E. coli exposure resulted in a significant decrease in trans-epithelial electrical resistance values in Caco-2 cells, reflecting impaired barrier integrity, which was reverted by S. officinalis L. wastewater, and this effect was associated with claudin-1 and occludin restoration, essential for maintaining intestinal barrier function. Present data confirms the protective effect of S. officinalis L. hydrodistillation wastewater in E. coli-induced inflammation, suggesting its potential application in the prevention and/or treatment of intestinal inflammation.

鼠尾草精油生产过程产生的是植物生物质的废渣,通过加氢蒸馏返回,同时还会产生一定量的富含高附加值和生物活性水溶性化合物的废水。本研究采用大肠杆菌脂多糖(LPS)刺激小鼠巨噬细胞Raw 264.7细胞和大肠杆菌暴露的人肠上皮Caco-2细胞,研究了officinalis L.加氢蒸馏废水的体外抗炎作用。采用高效液相色谱-质谱联用技术对废水中的多酚类化合物进行了鉴定,确认了有机酸(特别是羟基肉桂酸)、黄酮和黄酮醇的存在。该植物复合物通过降低核因子κ B核易位及其转录活性(白细胞介素[IL]-6、IL-8和肿瘤坏死因子α信使RNA水平),保护Raw 264.7免受大肠杆菌lps诱导的炎症。此外,废水降低了大肠杆菌攻毒Caco-2细胞中环氧化酶-2蛋白的表达。有趣的是,大肠杆菌暴露导致Caco-2细胞的跨上皮电阻值显著降低,反映了屏障完整性受损,这是由S. officinalis L.废水恢复的,这种影响与cludin -1和occludin恢复有关,这对维持肠道屏障功能至关重要。目前的数据证实了officinalis L.加氢蒸馏废水对大肠杆菌诱导的炎症的保护作用,提示其在预防和/或治疗肠道炎症方面的潜在应用。
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引用次数: 0
An Expedient Synthesis of 2-Acylthiazoles and 2-Acyl-4-methyl-5-acetylthiazoles Using α-Ketothioamides as Potential Acetylcholinesterase Inhibitors 以α-酮硫酰胺作为潜在的乙酰胆碱酯酶抑制剂合成2-酰基噻唑和2-酰基-4-甲基-5-乙酰基噻唑
IF 2.5 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-01-08 DOI: 10.1002/cbdv.202501670
Kodagahally T. Gunashree, Chikkappaiahnayaka Santhosh, Aishwarya Bharathi H. M, Krishna Ravi Singh, Prabitha Prabhakaran, Maralinganadoddi P. Sadashiva

Herein, report a simple and efficient strategy for the synthesis of 1,3 thiazole from the easily accessible α-ketothioamides. The thioamide synthetic equivalents react smoothly with bromoacetals and 3-chloropentane-2,4-dione to afford a series of substituted thiazoles 4al and 6al, demonstrating a high degree of thioamide functionalization. The reported procedure stands up due to the rapid reaction time with metal-free mild conditions rendering it an attractive option for thiazole synthesis. The resulting compounds were evaluated for their neuroprotective effects through in vitro acetylcholinesterase (AChE) inhibitory activity. Among the synthesized molecules, compound 6j exhibited the most significant inhibitory effect, surpassing the standard drug rivastigmine in activity.

本文报道了一种从α-酮硫酰胺中合成1,3噻唑的简单有效的方法。合成的硫酰胺等效物与溴缩醛和3-氯戊烷-2,4-二酮反应顺利,生成一系列取代噻唑4a- 1和6a- 1,表明了硫酰胺的高度功能化。由于在无金属的温和条件下反应时间短,使其成为合成噻唑的有吸引力的选择,因此报告的程序成立。通过体外乙酰胆碱酯酶(AChE)抑制活性评估所得化合物的神经保护作用。在所合成的分子中,化合物6j表现出最显著的抑制作用,其活性超过了标准药物利瓦斯丁明。
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引用次数: 0
Targeting the TRIM28–EZH2 Protein–Protein Interface With Cysteine-Reactive Covalent Inhibitors: A Computational Blueprint for Cancer Therapy 半胱氨酸反应性共价抑制剂靶向TRIM28-EZH2蛋白-蛋白界面:癌症治疗的计算蓝图。
IF 2.5 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-01-08 DOI: 10.1002/cbdv.202502892
Ibrahim Oluwatobi Kehinde, Vuyisa Mzozoyana, Sizwe J. Zamisa, Mbuso Faya, Mahmoud E. S. Soliman

Aberrant protein–protein interactions (PPIs) play crucial roles in cancer progression by driving transcriptional repression and epigenetic silencing. Among these, the TRIM28–EZH2 interaction is central to maintaining repressive chromatin states that promote tumorigenesis. In this study, we modeled the TRIM28–EZH2 complex using protein–protein docking, revealing a stable interface dominated by the RBCC domain of TRIM28 and the PRC2 catalytic domain of EZH2. A cysteine-focused covalent inhibitor library was screened to identify small molecules capable of targeting reactive cysteines at the interface. Four lead compounds were identified, with compound C87 exhibiting the most favorable binding free energy (ΔGbind = −57.2 kcal/mol) and stable interactions throughout molecular dynamics simulations. These findings highlight the potential of covalent inhibition as a novel strategy to disrupt oncogenic TRIM28–EZH2 complexes and restore tumor suppressor gene expression.

异常蛋白蛋白相互作用(PPIs)通过驱动转录抑制和表观遗传沉默在癌症进展中起着至关重要的作用。其中,TRIM28-EZH2相互作用是维持促进肿瘤发生的抑制染色质状态的核心。在本研究中,我们利用蛋白-蛋白对接对TRIM28-EZH2复合物进行建模,揭示了一个由TRIM28的RBCC结构域和EZH2的PRC2催化结构域主导的稳定界面。筛选了半胱氨酸聚焦的共价抑制剂文库,以确定能够靶向界面活性半胱氨酸的小分子。在分子动力学模拟中,化合物C87表现出最有利的结合自由能(ΔGbind = -57.2 kcal/mol)和稳定的相互作用。这些发现强调了共价抑制作为一种破坏致癌TRIM28-EZH2复合物和恢复肿瘤抑制基因表达的新策略的潜力。
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Chemistry & Biodiversity
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