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Exploration of the Therapeutic Potential of Salvianolic Acid B Against senile Cataracts Based on Network Pharmacology and Experimental Validation 基于网络药理学和实验验证的丹酚酸 B 对老年性白内障的治疗潜力探索
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-08-30 DOI: 10.1177/1934578x241272458
Yongxiao Dong, Jin Zhao, Xueli Zheng, Tao Xue, Wenting Ma, Panpan Cao, Ling Wang, Xiaoyong Yuan
BackgroundThe aim of this study was to explore the preventive and therapeutic potential of salvianolic acid B in inhibiting senile cataracts through network pharmacology and experimental validation.MethodsDisease-related genes were obtained from the DisGeNET and GeneCards databases. Drug targets were identified from the Swiss Target Prediction and PharmMapper databases, shared genes were identified via the Venny website, links between genes were identified via a protein–protein interaction (PPI) network, and GO and KEGG analyses were subsequently performed via R software. The key genes were identified via Cytoscape software, and their binding with Sal-B was demonstrated by molecular docking. Then, the results were verified by cell experiments. A CCK-8 assay was used to assess the activity of human LECs with or without H2O2 or Sal-B treatment, and the cell apoptosis rate of each group was determined by flow cytometry. The gene expression levels of caspase 3, TNF-α and MMP-9 in human LECs treated with or without H2O2 or Sal-B were determined by qPCR.ResultsA total of 705 and 152 cataract-related genes and salvianolic acid B-related genes, respectively, were identified, with 37 shared genes. The PPI results showed that MMP9, IL-2, JUN, TNF-α and caspase 3 were the core genes. GO data analysis revealed that the biological process, cell component and molecular function terms were most enriched in the categories “apoptosis progress”, “cytosol” and “protein binding”. Through KEGG enrichment analysis, we found that the core genes were related to the IL-17 and TNF signalling pathways. Cytoscape results showed that MMP9, TNF-α and caspase 3 were the key genes, and molecular docking showed that the drugs interacted well with the target molecules. The experimental results showed that salvianolic acid B inhibited H2O2-induced decreases in LEC activity and apoptosis and inhibited the gene expression of MMP9, TNF-α and caspase 3.ConclusionNetwork pharmacology and molecular docking results showed that salvianolic acid B has the potential to prevent and treat senile cataracts. The experimental results verified the finding that salvianolic acid B can inhibit the decrease in LEC activity and apoptosis induced by H2O2 and verified the expression of the key molecules MMP9, TNF-α and caspase 3.
背景本研究旨在通过网络药理学和实验验证,探索丹酚酸 B 在抑制老年性白内障方面的预防和治疗潜力。方法从 DisGeNET 和 GeneCards 数据库中获取疾病相关基因。从 Swiss Target Prediction 和 PharmMapper 数据库中确定药物靶点,通过 Venny 网站确定共享基因,通过蛋白-蛋白相互作用(PPI)网络确定基因之间的联系,随后通过 R 软件进行 GO 和 KEGG 分析。通过 Cytoscape 软件确定了关键基因,并通过分子对接证明了它们与 Sal-B 的结合。然后,通过细胞实验对结果进行了验证。CCK-8检测法用于评估经H2O2或Sal-B处理或未经H2O2或Sal-B处理的人LECs的活性,流式细胞仪测定各组细胞的凋亡率。采用 qPCR 法测定 H2O2 或 Sal-B 处理或未处理的人 LECs 中 Caspase 3、TNF-α 和 MMP-9 的基因表达水平。PPI结果显示,MMP9、IL-2、JUN、TNF-α和caspase 3是核心基因。GO数据分析显示,生物过程、细胞组分和分子功能术语在 "凋亡进展"、"细胞膜 "和 "蛋白质结合 "类别中富集最多。通过 KEGG 富集分析,我们发现核心基因与 IL-17 和 TNF 信号通路有关。Cytoscape结果显示,MMP9、TNF-α和caspase 3是关键基因,分子对接显示药物与靶分子有良好的相互作用。实验结果表明,丹酚酸 B 可抑制 H2O2 诱导的 LEC 活性下降和细胞凋亡,抑制 MMP9、TNF-α 和 caspase 3 的基因表达。实验结果验证了丹酚酸 B 能抑制 H2O2 诱导的 LEC 活性下降和细胞凋亡,并验证了关键分子 MMP9、TNF-α 和 caspase 3 的表达。
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引用次数: 0
Nitric Oxide Production Inhibitors from Vietnamese Knema globularia: An in Vitro and in Silico Study 越南 Knema globularia 中的一氧化氮生成抑制剂:体外和硅学研究
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-08-30 DOI: 10.1177/1934578x241280043
Dao Cuong To, Phu Chi Hieu Truong, Phi-Hung Nguyen, Le Minh Hoang, Hoa Thi Nguyen, Truong Thi Viet Hoa, Truong Thi Thuy Nhung, Phuong Dai Nguyen Nguyen, Ngu Truong Nhan, Manh Hung Tran
Objective: The Knema genus contains various naturally occurring secondary metabolites with pharmacological potential, including antitumor, neuroprotective, antidiabetic, and hepatoprotective activities. This study focuses on identifying nitric oxide production inhibitors from Vietnamese Knema globularia. Methods: The secondary metabolites were isolated using several chromatographic techniques. Their chemical structures were determined using nuclear magnetic resonance (NMR) spectroscopy and compared with published literature. The anti-inflammatory effect was evaluated using the Griess assay, and protein interactions were investigated through docking studies. Results: Based on their anti-inflammatory activity, six compounds (1-6) were isolated from Vietnamese K. globularia. These compounds were identified as lupeol (1), formononetin (2), isoliquiritigenin (3), 2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol (4), (+)-catechin (5), and (−)- epicatechin (6). For the first time, compounds 1, 3, and 4 were reported from Vietnamese K. globularia. All isolated compounds were tested against lipopolysaccharide (LPS)-induced nitric oxide (NO) production in macrophage RAW264.7 cells to assess their anti-inflammatory potential. Compound 5 exhibited the highest inhibitory activity, with an IC50 value of 5.61 μM, followed by compounds 3 and 6, with IC50 values of 6.76 and 11.52 μM, respectively. However, compounds 1, 2, and 4 showed inactivity with IC50 values exceeding 30 μM. Molecular docking was then employed to investigate the affinity and interactions between compounds 3, 5, and 6 and proteins involved in inflammation, such as inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-2), and interleukin-8 (IL-8), along with ADMET (absorption, distribution, metabolism, excretion, and toxicity) predictions. Conclusion: These findings suggest that the active constituents derived from Vietnamese K. globularia have the potential as anti-inflammatory agents worthy of further exploration and development.
目的:Knema 属植物含有多种具有药理潜力的天然次生代谢物,包括抗肿瘤、神经保护、抗糖尿病和保肝活性。本研究的重点是从越南 Knema globularia 中鉴定一氧化氮生成抑制剂。方法:采用多种色谱技术分离次生代谢物。利用核磁共振(NMR)光谱测定了它们的化学结构,并与已发表的文献进行了比较。使用格里斯试验评估了其抗炎效果,并通过对接研究调查了蛋白质之间的相互作用。结果:根据其抗炎活性,从越南 K. globularia 中分离出了六种化合物(1-6)。经鉴定,这些化合物分别为羽扇豆醇(1)、福莫宁(2)、isiquiritigenin(3)、2-[4-(3-羟基丙基)-2-甲氧基苯氧基]丙烷-1,3-二醇(4)、(+)-儿茶素(5)和(-)-表儿茶素(6)。化合物 1、3 和 4 是首次从越南 K. globularia 中发现。所有分离出的化合物都针对脂多糖(LPS)诱导巨噬细胞 RAW264.7 产生一氧化氮(NO)进行了测试,以评估其抗炎潜力。化合物 5 的抑制活性最高,IC50 值为 5.61 μM,其次是化合物 3 和 6,IC50 值分别为 6.76 和 11.52 μM。然而,化合物 1、2 和 4 显示出了非活性,其 IC50 值超过了 30 μM。随后,研究人员采用分子对接法研究了化合物 3、5 和 6 与诱导性一氧化氮合酶 (iNOS)、环氧化酶-2 (COX-2) 和白细胞介素-8 (IL-8) 等参与炎症的蛋白质之间的亲和力和相互作用,并进行了 ADMET(吸收、分布、代谢、排泄和毒性)预测。结论这些研究结果表明,从越南球果中提取的活性成分具有作为抗炎药物的潜力,值得进一步探索和开发。
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引用次数: 0
Acacia ehrenbergiana (Hayne) and Prosopis juliflora Extracts Promote the Survival of Caenorhabditis elegans Infected with Methicillin-Resistant Staphylococcus aureus 金合欢(Hayne)和糙叶女贞提取物可促进感染耐甲氧西林金黄色葡萄球菌的秀丽隐杆线虫的存活率
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-08-29 DOI: 10.1177/1934578x241279065
Samah H O Zarroug, Talah Nammor, Shatha Eisa, Reela Hamoor, Linda Ibrahim, Yousef Shata, Meshal Alqhtani, Omnia Bashir, Ghada Garaween, Fatheia N Hamza, Dana Bakheet, Assad Khalid, Hana K Abdalla
Background: Staphylococcus aureus (S. aureus) is a leading cause of skin and soft tissue infections, with antibiotic-resistant strains causing potentially life-threatening diseases. This study explored the antimicrobial potential of Acacia ehrenbergiana (Hayne) and Prosopis juliflora using a Caenorhabditis elegans (C. elegans) in vivo model infected with methicillin-susceptible (MSSA) and methicillin-resistant (MRSA) S. aureus strains. Methods: Wild-type C. elegans were exposed to MSSA strain ATCC 25923 and MRSA strains ATCC BF195 and ATCC BC 3820 using an agar-based killing assay. The impact of ethanol extracts from A. ehrenbergiana and P. juliflora on the survival of infected C. elegans was assessed by analyzing the survival rates of infected and non-infected worms. The effects of the plant extracts on C. elegans feeding rate and colonization of MSSA and MRSA in the worm's gut were also examined. Additionally, in vitro assays were conducted to assess the bactericidal and/or bacteriostatic effects of the plant extracts. Results: Exposure to MSSA and MRSA strains significantly reduced C. elegans lifespan, with a mean time to death (TDmean) of 72 ± 1.3 h. Treatment with 100–500 μg/ml of either plant extract increased C. elegans survival by 65–70%. The extracts did not affect C. elegans pharyngeal pumping. Colony-forming Unit (CFU) assays showed a significant reduction in MSSA and MRSA colonization in the worm intestine with P. juliflora, but not A. ehrenbergiana extracts. In vitro Minimum Inhibitory Concentration (MIC) assays indicated that neither extract had direct bactericidal activity, suggesting the observed reduction in bacterial infection in worms was likely due to enhanced host immune response rather than direct antibacterial effects. Conclusion: These findings suggest that A. ehrenbergiana and P. juliflora extracts enhance C. elegans survival upon infection through indirect mechanisms, possibly involving immune system activation. This study highlights the potential of these extracts as antibacterial agents against MSSA and MRSA strains.
背景:金黄色葡萄球菌(S. aureus)是皮肤和软组织感染的主要病因,抗生素耐药菌株可能导致危及生命的疾病。本研究使用感染了甲氧西林易感(MSSA)和甲氧西林耐药(MRSA)金黄色葡萄球菌菌株的秀丽隐杆线虫(C. elegans)体内模型,探索金合欢(Acacia ehrenbergiana (Hayne) )和糙叶金银花(Prosopis juliflora)的抗菌潜力。方法:使用琼脂基杀灭试验将野生型 elegans 暴露于 MSSA 菌株 ATCC 25923 和 MRSA 菌株 ATCC BF195 及 ATCC BC 3820。通过分析受感染和未感染蠕虫的存活率,评估了 A. ehrenbergiana 和 P. juliflora 的乙醇提取物对受感染 elegans 存活率的影响。此外,还研究了植物提取物对 elegans 摄食率以及 MSSA 和 MRSA 在蠕虫肠道中定植的影响。此外,还进行了体外试验,以评估植物提取物的杀菌和/或抑菌作用。结果暴露于 MSSA 和 MRSA 菌株会显著降低 elegans 的寿命,平均死亡时间(TDmean)为 72 ± 1.3 h。提取物不会影响秀丽隐杆线虫的咽部泵送。菌落形成单位(CFU)测定显示,茱莉花提取物能显著减少 MSSA 和 MRSA 在蠕虫肠道中的定植,而 A. ehrenbergiana 提取物则不能。体外最低抑菌浓度(MIC)测定表明,这两种提取物都没有直接的杀菌活性,这表明所观察到的蠕虫细菌感染的减少可能是由于宿主免疫反应的增强,而不是直接的抗菌作用。结论这些研究结果表明,A. ehrenbergiana 和 P. juliflora 提取物可通过间接机制(可能涉及免疫系统激活)提高优雅小花藻在感染后的存活率。本研究强调了这些提取物作为抗 MSSA 和 MRSA 菌株的抗菌剂的潜力。
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引用次数: 0
Study on Antioxidant Activity and Immune-Enhanced Activity of Basil Crude Extract and its Solvent Fractions 罗勒粗提取物及其溶剂馏分的抗氧化活性和免疫增强活性研究
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-08-29 DOI: 10.1177/1934578x241279050
Jingjing Gu, Xiaolan Ge, Mengjuan Zhang, Lili Wang, Wei Ma
Objective: Basil has various biological activities, and sufficient research on its extracts can help to clarify the main components that exert biological activity. Methods: Solvents with different polarities were used to extract the basil crude extract (CE), and the total polyphenol (TP) and total flavonoid (TF) contents of extracts were measured. The compounds of extracts were identified using high-performance liquid chromatography-tandem mass spectrometry (LC-MS/MS). Their antioxidant and immune-enhanced activities were evaluated. Results: The CE and its four solvent fractions were obtained including petroleum ether extract (PE), ethyl acetate extract (EE), n-butanol extract (BE), and water extract (WE). Among them, BE had the highest TP and TF contents, followed by EE, and all five extracts contained maltol and arbutin. The BE and EE have better 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging activities, while CE with less TP and TF contents showed better 2, 2'-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical scavenging activity than that of BE and EE. Besides, BE and EE also exert a better effect on relevant indicators of immunosuppressive mice than other extracts. Conclusion: The basil extracts (BE and EE), which have higher TP and TF contents, demonstrate better in vitro antioxidant activities and immune-enhancing effects on immunosuppressed mice. This provides a theoretical basis for the application of basil.
目的:罗勒具有多种生物活性,对其提取物进行充分研究有助于明确其具有生物活性的主要成分。方法:采用不同极性的溶剂萃取罗勒粗萃取物(CE):采用不同极性的溶剂提取罗勒粗提取物(CE),并测定提取物中总多酚(TP)和总黄酮(TF)的含量。提取物中的化合物采用高效液相色谱-串联质谱法(LC-MS/MS)进行鉴定。评估了它们的抗氧化和免疫增强活性。结果表明获得了 CE 及其四种溶剂馏分,包括石油醚提取物(PE)、乙酸乙酯提取物(EE)、正丁醇提取物(BE)和水提取物(WE)。其中,BE 的 TP 和 TF 含量最高,其次是 EE,五种提取物均含有麦芽酚和熊果苷。BE 和 EE 具有较好的 1,1-二苯基-2-苦基肼(DPPH)自由基清除活性,而 TP 和 TF 含量较低的 CE 的 2,2'-氮基-双(3-乙基苯并噻唑啉-6-磺酸)(ABTS)自由基清除活性优于 BE 和 EE。此外,BE 和 EE 对免疫抑制小鼠相关指标的影响也优于其他提取物。结论罗勒提取物(BE 和 EE)的 TP 和 TF 含量较高,对免疫抑制小鼠的体外抗氧化活性和免疫增强效果较好。这为罗勒的应用提供了理论依据。
{"title":"Study on Antioxidant Activity and Immune-Enhanced Activity of Basil Crude Extract and its Solvent Fractions","authors":"Jingjing Gu, Xiaolan Ge, Mengjuan Zhang, Lili Wang, Wei Ma","doi":"10.1177/1934578x241279050","DOIUrl":"https://doi.org/10.1177/1934578x241279050","url":null,"abstract":"Objective: Basil has various biological activities, and sufficient research on its extracts can help to clarify the main components that exert biological activity. Methods: Solvents with different polarities were used to extract the basil crude extract (CE), and the total polyphenol (TP) and total flavonoid (TF) contents of extracts were measured. The compounds of extracts were identified using high-performance liquid chromatography-tandem mass spectrometry (LC-MS/MS). Their antioxidant and immune-enhanced activities were evaluated. Results: The CE and its four solvent fractions were obtained including petroleum ether extract (PE), ethyl acetate extract (EE), n-butanol extract (BE), and water extract (WE). Among them, BE had the highest TP and TF contents, followed by EE, and all five extracts contained maltol and arbutin. The BE and EE have better 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging activities, while CE with less TP and TF contents showed better 2, 2'-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical scavenging activity than that of BE and EE. Besides, BE and EE also exert a better effect on relevant indicators of immunosuppressive mice than other extracts. Conclusion: The basil extracts (BE and EE), which have higher TP and TF contents, demonstrate better in vitro antioxidant activities and immune-enhancing effects on immunosuppressed mice. This provides a theoretical basis for the application of basil.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"78 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142177345","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Anti-Oxidant and Anti-Inflammatory Properties of Talinum triangulare Methanol Leaf Extract on Cadmium-Induced Cognitive Dysfunction in Male Wistar Rats 三角枫甲醇叶提取物对镉诱导的雄性 Wistar 大鼠认知功能障碍的抗氧化和抗炎作用
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-08-29 DOI: 10.1177/1934578x241271698
Uduak Anthony Inwang, Ezekiel Etim Ben, Obinna Onwe Uchewa, Emmanuel Onyi Nwuzor, Azubuike Raphael Nwaji, Ekementeabasi Aniebo Umoh
ObjectiveOxidative stress results in neuronal degeneration leading to cognitive decline. Microglia in brain tissue produces reactive oxygen species (ROS), which modulate synaptic communication between neurons. ROS can lead to neuroinflammation, which can cause neurodegeneration and memory loss. Talinum triangulare was investigated for its cognitive, anti-oxidative and anti-inflammatory potentials in male wistar rats.Materials and methods25 adult female rats weighing between 150 g–200 g were grouped (n = 5) into Group 1 (control group) received 1 mL/kg of distilled water, group 2–5 were administered with 100 mg/kg, 200 mg/kg and 400 mg/kg T. triangulare methanol extract and 2.5 mg/kg donepezil, 100 mg/kg cadmium respectively via oral gavage. The administration lasted for 21 days and neurobehavioural parameters, biochemical and histological analysis of the hippocampus were evaluated. The assessment of spatial learning and memory was evaluated using Classic labyrinth task.ResultsThere was significantly (p < 0.05) reduced escape time latency and increased time latency in the probe trial in Morris water maze; and reduced time latency in the labyrinth by T. triangulare methanol extract (100, 200 and 400 mg/kg) compared with the control and cadmium treated groups. T. triangulare methanol extract and donepezil significantly (p < 0.05) reduced acetylcholinesterase (AChE), tissue necrosis factor-α (TNF-α), interleukin-6 (IL-6) activities and significantly (p < 0.05) increased gluthathione peroxidase activity (GPx) and catalase (CAT) respectively.ConclusionThese findings revealed that T. triangulare methanol extract enhanced cognitive function and exhibited anti-oxidative and anti-inflammatory potentials.
目的氧化应激导致神经元退化,从而导致认知能力下降。脑组织中的小胶质细胞会产生活性氧(ROS),从而调节神经元之间的突触通信。ROS 可导致神经炎症,从而引起神经变性和记忆力减退。材料和方法25 只体重在 150 克-200 克之间的成年雌性大鼠分组(n = 5),第 1 组(对照组)接受 1 毫升/千克蒸馏水,第 2-5 组分别通过口服灌胃给药 100 毫克/千克、200 毫克/千克和 400 毫克/千克三棱草甲醇提取物和 2.5 毫克/千克多奈哌齐、100 毫克/千克镉。给药持续 21 天,对神经行为参数、海马的生化和组织学分析进行评估。结果与对照组和镉处理组相比,三棱草甲醇提取物(100、200 和 400 毫克/千克)显著降低了莫里斯水迷宫的逃逸潜伏期,增加了探究试验的潜伏期;降低了迷宫的潜伏期(p < 0.05)。三棱草甲醇提取物和多奈哌齐能显著降低乙酰胆碱酯酶(AChE)、组织坏死因子-α(TNF-α)和白细胞介素-6(IL-6)的活性(p < 0.05),并分别显著提高谷胱甘肽过氧化物酶(GPx)和过氧化氢酶(CAT)的活性(p < 0.05)。
{"title":"Anti-Oxidant and Anti-Inflammatory Properties of Talinum triangulare Methanol Leaf Extract on Cadmium-Induced Cognitive Dysfunction in Male Wistar Rats","authors":"Uduak Anthony Inwang, Ezekiel Etim Ben, Obinna Onwe Uchewa, Emmanuel Onyi Nwuzor, Azubuike Raphael Nwaji, Ekementeabasi Aniebo Umoh","doi":"10.1177/1934578x241271698","DOIUrl":"https://doi.org/10.1177/1934578x241271698","url":null,"abstract":"ObjectiveOxidative stress results in neuronal degeneration leading to cognitive decline. Microglia in brain tissue produces reactive oxygen species (ROS), which modulate synaptic communication between neurons. ROS can lead to neuroinflammation, which can cause neurodegeneration and memory loss. Talinum triangulare was investigated for its cognitive, anti-oxidative and anti-inflammatory potentials in male wistar rats.Materials and methods25 adult female rats weighing between 150 g–200 g were grouped (n = 5) into Group 1 (control group) received 1 mL/kg of distilled water, group 2–5 were administered with 100 mg/kg, 200 mg/kg and 400 mg/kg T. triangulare methanol extract and 2.5 mg/kg donepezil, 100 mg/kg cadmium respectively via oral gavage. The administration lasted for 21 days and neurobehavioural parameters, biochemical and histological analysis of the hippocampus were evaluated. The assessment of spatial learning and memory was evaluated using Classic labyrinth task.ResultsThere was significantly (p &lt; 0.05) reduced escape time latency and increased time latency in the probe trial in Morris water maze; and reduced time latency in the labyrinth by T. triangulare methanol extract (100, 200 and 400 mg/kg) compared with the control and cadmium treated groups. T. triangulare methanol extract and donepezil significantly (p &lt; 0.05) reduced acetylcholinesterase (AChE), tissue necrosis factor-α (TNF-α), interleukin-6 (IL-6) activities and significantly (p &lt; 0.05) increased gluthathione peroxidase activity (GPx) and catalase (CAT) respectively.ConclusionThese findings revealed that T. triangulare methanol extract enhanced cognitive function and exhibited anti-oxidative and anti-inflammatory potentials.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"37 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142177296","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Extracellular Metallometabolome: Metallophores, Metal Ionophores, and Other Chelating Agents as Natural Products 细胞外金属代谢组:作为天然产品的金属离子团、金属离子团和其他螯合剂
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-08-28 DOI: 10.1177/1934578x241271701
Wolfgang Maret
Natural products include inorganic as well as organic compounds. Living organisms face constant challenges in acquiring essential metal ions and getting rid of non-essential ones with toxic actions. They employ an extracellular biochemistry in these tasks and use it to engage in a chemical warfare against invaders and competitors by either increasing or decreasing the availability of metal ions for maintaining their welfare in aquatic or terrestrial ecological niches. To control mutualistic, cambialistic or parasitic symbiosis with other organisms they use a remarkably rich suite of secreted bioactive molecules with ligand donor atoms for metal binding. This overview discusses the interactions of these extracellular natural products with a multitude of metal ions in the periodic system of the elements. It focuses mainly on metallophores and metal ionophores secreted from bacteria, fungi, and plants, but metal-carrying cofactors and other chelating agents will also be mentioned in the context of related functions and with an intent to categorize. The intracellular fate of the metal ions and the controlled pathways for the biosynthesis, secretion, uptake, biodegradation or recycling of the secreted natural products that interact with metal ions will not be covered. Metallophores make extracellular metal ions available via delivery to specific transporters and unavailable to competing organisms, especially pathogens, though some invaders have developed ways to compete efficiently for metal ions. The classic concept of siderophores, carriers of iron(III) ions, is extended here to specific and broad-band metallophores for metal ions such as copper (chalkophores), zinc (zincophores), and yet others. Metal ionophores, in contrast, transport metal ions through biological membranes. There is a wide variety of chemical structures for either metallophores or metal ionophores. Together with physicochemical investigations of metal complexation und conditions mimicking the natural environment, “omics” mining and mapping the diversity of chemotypes is an on-going effort with analytic, genetic, and bioinformatic tools and comes together in defining the metallometabolome, which combines the metabolome and the metallome. Investigations are highly multidisciplinary, include an important, but academically infrequently crossed bridge between the biosciences (biochemistry) and the earth sciences (geochemistry), define significant applications in the pharmaceutical/medical sciences regarding immune modulation and the control of virulence at the host-pathogen interface, and have implications for the nutritional/toxicological and environmental/ecological sciences.
天然产品包括无机和有机化合物。生物体在获取必需的金属离子和去除具有毒性的非必需金属离子方面不断面临挑战。它们利用细胞外生物化学来完成这些任务,并通过增加或减少金属离子的供应量来与入侵者和竞争者展开化学战,以维持它们在水生或陆生生态位中的生存。为了控制与其他生物的互生、共生或寄生共生,它们使用了一整套极其丰富的分泌型生物活性分子,这些分子具有配体供体原子,可与金属结合。本综述讨论了这些细胞外天然产物与元素周期系中多种金属离子的相互作用。它主要关注细菌、真菌和植物分泌的金属团和金属离子团,但也会根据相关功能和分类意图提及携带金属的辅助因子和其他螯合剂。至于金属离子在细胞内的去向,以及与金属离子相互作用的分泌型天然产物的生物合成、分泌、吸收、生物降解或循环利用的受控途径,则不在讨论之列。尽管一些入侵者已经开发出有效竞争金属离子的方法,但噬金属体通过向特定的转运体输送金属离子,使细胞外的金属离子无法被竞争生物(尤其是病原体)利用。苷元的经典概念是铁(III)离子的载体,在这里被扩展为特定的和宽带的金属离子载体,如铜(chalkophores)、锌(zincophores)和其他金属离子。而金属离子团则通过生物膜传输金属离子。金属团或金属离子团的化学结构多种多样。在模拟自然环境的条件下,对金属络合进行物理化学研究,利用分析、遗传和生物信息学工具对化学类型的多样性进行 "全息 "挖掘和绘图,是一项持续的工作。研究具有高度的多学科性,包括生物科学(生物化学)和地球科学(地球化学)之间一座重要但在学术上很少跨越的桥梁,确定了制药/医学科学中有关免疫调节和宿主-病原体界面毒力控制的重要应用,并对营养/毒理学和环境/生态科学产生了影响。
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引用次数: 0
Phytochemical Analysis and in vivo Toxicity Study of Extracted Walnut oil in Sprague Dawley Rats 核桃油提取物的植物化学分析和对 Sprague Dawley 大鼠的体内毒性研究
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-08-28 DOI: 10.1177/1934578x241271695
Talar Hamaali Mohammed, Heshu Sulaiman Rahman, Shirwan Hamasalih Omer
Background: Medicinal plants have been the focus of scientific research for many decades worldwide, especially those used in traditional medicine. Objective: To perform the phytochemical analysis of extracted walnut oil (EWO) and its subchronic toxicity profile in Sprague Dawley rats. Methods: In this experimental study, the collected Kurdish walnut was authenticated by an authorized taxonomist and the core was obtained. Then, the walnut oil was extracted using the cold press method and sent for phytochemical analysis using GC-MS. Accordingly, the male Sprague Dawley rats were treated with varying doses of the EWO for four consecutive weeks, and animals were checked daily for abnormality and toxicity behaviours while they were weighed each week. At the end of the study, animals were sacrificed under deep anaesthesia, blood samples and organs were collected, and various hematological and biochemical tests were performed together with histopathological analysis. Results: GC-MS analysis showed that EWO contained 49 compounds, some critical in biomedical fields. The body weight of all treated animals was increased significantly. No significant changes were seen for hematological tests except platelets, which decreased in all treated groups (p = 0.015) compared to the control group. At the same time, AST and chloride levels were decreased (p = 0.002 and p = 0.012, respectively), while total protein and calcium were increased (p = 0.004 and p = 0.033, respectively). Simultaneously, histopathological analysis showed no severe lesions in the brain, moderate lesions in the liver and mild, moderate and severe lesions in the kidneys. Conclusions: EWO is rich in various compounds that contain active medicinal components. The EWO can be used at low doses as it does not affect most hematological and biochemical tests and has no significant toxicity in the vital organs of experimental rats.
背景:几十年来,药用植物一直是全球科学研究的重点,尤其是传统医学中使用的药用植物。研究目的对提取的核桃油(EWO)进行植物化学分析,并分析其对 Sprague Dawley 大鼠的亚慢性毒性。方法:在本实验研究中,采集的库尔德核桃由授权的分类学家鉴定并获得核芯。然后,用冷榨方法提取核桃油,并用气相色谱-质谱仪进行植物化学分析。因此,雄性 Sprague Dawley 大鼠连续四周接受不同剂量的 EWO 治疗,每周称重,每天检查动物是否有异常和毒性行为。研究结束时,在深度麻醉下将大鼠处死,收集血液样本和器官,并进行各种血液学和生化测试以及组织病理学分析。研究结果气相色谱-质谱分析表明,EWO 含有 49 种化合物,其中一些对生物医学领域至关重要。所有治疗动物的体重都有明显增加。与对照组相比,除血小板减少(p = 0.015)外,血液学检测未见明显变化。同时,谷草转氨酶和氯化物水平下降(分别为 p = 0.002 和 p = 0.012),而总蛋白和钙增加(分别为 p = 0.004 和 p = 0.033)。同时,组织病理学分析表明,大脑没有严重病变,肝脏有中度病变,肾脏有轻度、中度和重度病变。结论枇杷膏富含多种化合物,其中含有活性药用成分。由于 EWO 不影响大多数血液学和生化测试,对实验大鼠的重要器官也没有明显毒性,因此可以小剂量使用。
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引用次数: 0
Bioactivities and Toxicity of the Golden Camellia Species: A Systematic Review 金茶花品种的生物活性和毒性:系统综述
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-08-26 DOI: 10.1177/1934578x241278133
Minh-Nhut Truong, The-Long Pham, Tram-Anh Mai Pham, Van-Dat Truong, Linh-Tu Vo, Thao-My Nguyen-Hoang, Lac-Thuy Nguyen-Huu
Golden camellia, a group of herbal materials belonging to the Theaceae family, was widely distributed in Asian countries, particularly Vietnam and southern China. Numerous pharmacological effects of various golden camellia species have been reported in reputable databases such as PubMed and Google Scholar. These effects included anti-tumor, lipid-lowering, anxiolytic, antidepressant, neuroprotective, antioxidant, antibacterial, and anti-inflammatory properties. Furthermore, toxicity studies on golden camellia species have demonstrated their safety for use. Our systematic review provides a comprehensive understanding of the pharmacological effects and safety of various golden camellia species, aiming to provide reliable evidence for the clinical use of this herbal material.
金山茶花属于山茶科草本植物,广泛分布于亚洲国家,尤其是越南和中国南部。PubMed 和谷歌学术等知名数据库已报道了多种金花茶的药理作用。这些功效包括抗肿瘤、降血脂、抗焦虑、抗抑郁、神经保护、抗氧化、抗菌和抗炎特性。此外,对金花茶物种的毒性研究也证明了其使用的安全性。我们的系统综述全面介绍了各种金花茶品种的药理作用和安全性,旨在为这种草药材料的临床应用提供可靠的证据。
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引用次数: 0
Study on the Possibility of Developing Functional Source Through Extraction Optimization of Schinus terebinthifolia Bark and Evaluation of Anti-Oxidant, Elastase Inhibitory and Xanthine Oxidase Inhibitory Effect 关于通过优化栲胶开发功能源的可能性以及评估抗氧化剂、弹性蛋白酶抑制剂和黄嘌呤氧化酶抑制剂效果的研究
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-08-22 DOI: 10.1177/1934578x241275016
Seung-Yub Song, Sung-Ho Lee, Jin-Woo Park, Dae-Hun Park, Seung-Sik Cho
Introduction: Schinus terebinthifolia (ST) is a plant belonging to the cashew family Anacardiaceae, native to subtropical and tropical South America. ST is commonly called Brazil pepper and aroeira. Several reports have been made on the biological activities of ST, but studies on leaf extracts, especially lectins, have mainly been reported. Objectives: Our study analyzed the active compounds, antioxidant activities, xanthine oxidase inhibitory, elastase inhibitory, and tyrosinase inhibitory activities of S. terebinthifolia (ST) bark extract. Results: Hot water extracts showed the strongest electron donating ability (84.46%) and tyrosinase inhibitory activity (67.1%). Eighty percent ethanol extract showed the highest reducing power, total phenolic, xanthine oxidase (91.7%) and elastase inhibitory ability (85.44%). Catechin, α–amyrin, β–amyrone and 11-Oxo-.α-amyrin were identified through HPLC and GCMS analysis, while eighty percent extract contained the highest amount of catechin. Catechin, α–amyrin, and β–amyrone are considered to be the main xanthine oxidase inhibitors, while β–amyrone is considered to be the main inhibitor of xanthine oxidase and elastase. Conclusion: Through this study, we reported the basic information that S. terebinthifolia bark extract was used in folk medicine as an anti-inflammatory, anti-gout, and skin disease improvement material. S. terebinthifolia bark extract could be used as an anti-gout natural drug or cosmetic material.
简介Schinus terebinthifolia(ST)是一种属于腰果科 Anacardiaceae 的植物,原产于亚热带和热带南美洲。ST 通常被称为巴西胡椒和巴西芹。关于 ST 的生物活性已有多篇报道,但主要是关于叶提取物,特别是凝集素的研究。研究目的我们的研究分析了 S. terebinthifolia(ST)树皮提取物的活性化合物、抗氧化活性、黄嘌呤氧化酶抑制活性、弹性蛋白酶抑制活性和酪氨酸酶抑制活性。结果热水提取物显示出最强的电子捐赠能力(84.46%)和酪氨酸酶抑制活性(67.1%)。80% 的乙醇提取物显示出最高的还原力、总酚、黄嘌呤氧化酶(91.7%)和弹性蛋白酶抑制能力(85.44%)。通过 HPLC 和 GCMS 分析确定了儿茶素、α-amyrin、β-amyrone 和 11-氧-.α-amyrin,而 80% 的提取物中儿茶素含量最高。儿茶素、α-amyrin 和 β-amyrone 被认为是主要的黄嘌呤氧化酶抑制剂,而 β-amyrone 被认为是黄嘌呤氧化酶和弹性蛋白酶的主要抑制剂。结论:通过本研究,我们报告了 S. terebinthifolia 树皮提取物在民间医学中用作抗炎、抗痛风和改善皮肤病材料的基本信息。蛇床子树皮提取物可用作抗痛风的天然药物或化妆品原料。
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引用次数: 0
Rigidone or ent-perezone? 硬质酮还是烯丙酮?
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-08-22 DOI: 10.1177/1934578x241276965
Ma Alvina Bucio-Vásquez, Miguel Ángel Fuentes-Figueroa, Angelina Hernández-Barragan, Luis Gerardo Zepeda-Vallejo, Eleuterio Burgueño-Tapia, Pedro Joseph-Nathan
IntroductionThe 13C-NMR data described for perezone (1), a 3-hydroxy p-quinone stated as the first natural product isolated as crystals in the New World, and rigidone (2), a 4-hydroxy o-quinone isolated from a coral species, are essentially the same. Some years ago, we described, using theoretical calculations, that a 4-hydroxy-1,2-quinone is more than 11 kcal/mol less stable than a 3-hydroxy-1,4-quinone making coexistence in nature of this type of quinones. In the present study, we approach the situation by comparing of the experimental 13C-NMR data for 1 and those described for 2 with the calculated using computational methods. Additional evidence was obtained from a X-ray diffraction analysis for the reaction product of perezone with o-phenylendiamine.MethodsThe 13C-NMR data for the quinoid rings were calculated using the GIAO and CSGT methods, density functional theory (DFT) and the functional/basis set pairs B3LYP/6-31 g(d,p) and MPW1PW91/6-31 g(d,p); and TPSSTPSS/cc-PVTZ and PBE1PBE/aug-cc-PVDZ. Perezone reaction with o-phenylenediamine was achieved using a described method in MeOH at room temperature. X-Ray diffraction analysis of phenazine from perezone reaction was done using Mo Kα radiation. The data were used to calculate the Flack parameter.ResultsAfter conformational analysis, complete optimization of the geometry of the conformers found and, calculation of the 13C-NMR chemical shifts for the quinone ring of 1 and 2, in all cases a better agreement was observed between the experimental data for 1 versus 2. Perezone reaction with o-phenylenediamine afforded the corresponding phenazine in its amine-keto tautomeric form as evidenced from a X-ray diffraction study.ConclusionThe better agreement observed between the experimental and calculated data for 1 versus 2, along with the free energy difference of more than 11 kcal/mol in favor of the 3-hydroxy p-quinone versus 4-hydroxy o-quinone, previously established for us, allow to say that the structure described for rigidone corresponds to ent -perezone.
引言 perezone (1) 是一种 3- 羟基对醌,被称为在新世界中分离出的第一种天然晶体产品,而 rigidone (2) 则是从一种珊瑚物种中分离出的 4- 羟基邻醌,两者的 13C-NMR 数据基本相同。几年前,我们曾通过理论计算指出,4-羟基-1,2-醌的稳定性比 3-羟基-1,4-醌低 11 kcal/mol 以上,因此这一类醌在自然界中是共存的。在本研究中,我们将 1 和 2 的 13C-NMR 实验数据与计算方法计算出的数据进行了比较。方法使用 GIAO 和 CSGT 方法、密度泛函理论(DFT)、B3LYP/6-31 g(d,p) 和 MPW1PW91/6-31 g(d,p);以及 TPSSTPSS/cc-PVTZ 和 PBE1PBE/aug-cc-PVDZ 计算了醌环的 13C-NMR 数据。采用所述方法,在室温下于 MeOH 中实现了腙与邻苯二胺的反应。使用 Mo Kα 辐射对腙反应生成的酚嗪进行了 X 射线衍射分析。结果经过构象分析、对所发现构象的几何形状进行完全优化以及计算 1 和 2 的醌环的 13C-NMR 化学位移后,在所有情况下都观察到 1 与 2 的实验数据更加一致。结论 1 与 2 的实验数据和计算数据之间的一致性较好,加上我们之前确定的 3-hydroxy p-quinone 与 4-hydroxy o-quinone 之间的自由能差超过 11 kcal/mol,因此可以说僵化酮所描述的结构与 ent -perezone 相符。
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引用次数: 0
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Natural Product Communications
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