bioactive compounds

生物活性化合物
  • 文章类型: Journal Article
    阿尔茨海默病(Alzheimer’sdisease,AD)是影响60岁及以上人群的最常见的神经退行性疾病。然而,针对这种疾病的有效治疗药物的发现并没有取得最大进展,许多候选药物无法在不同阶段退出临床试验。同时,目前可用的抗胆碱酯酶(AChE)和单胺氧化酶-B(MAO-B)治疗AD只能改善临床症状,而最近批准的免疫治疗药物仍有疑问.因此,需要具有治疗该病病因潜力的新型治疗剂。在这里,这项研究试图研究许多来自葡萄的生物活性化合物作为抗AChE和MAO-B的有前途的药物的潜力。使用通过分子对接的计算方法,针对AChE和MAO-B筛选了23种生物活性剂,和结合评分低于标准配体的化合物进一步进行药物相似度和药代动力学筛选。所研究的试剂中的八种和十三种分别最佳地饱和了AChE和MAO-B的活性口袋,在目标的活性口袋中与许多氨基酸形成主要相互作用,在这些化合物中,只有芦丁通过违反四个参数而未能通过药物相似度测试,而全部显示出中等的药代动力学特征。许多葡萄衍生的生物活性化合物对AChE和MAO-B显示出优异的抑制潜力,与参考配体(他克林)相比,具有中等的药代动力学特征。因此,这些化合物被提出作为用于治疗AD的新型AChE和MAO-B抑制剂,并且湿实验室分析对于确认它们的效力是必要的。
    Alzheimer\'s disease (AD) is the most prevalent neurodegenerative disease that affects people aged 60 years and above. Yet, the discovery of potent therapeutic agents against this disease has no utmost progress and a number of drug candidates could not make it out of the clinical trials at varied stages. At the same time, the currently available anti-cholinesterase (AChE) and monoamine oxidase-B (MAO-B) for the treatment of AD can only improve the clinical symptoms while the recently approved immunotherapy agent \"remains questionable. Thus, the need for novel therapeutic agents with the potential to treat the aetiology of the disease. Herein, this study sought to examine the potential of a number of bioactive compounds derived from Vitis vinifera as a promising agent against AChE and MAO-B. Using a computational approach via molecular docking 23 bioactive agents were screened against AChE and MAO-B, and the compounds with a binding score below that of the standard ligand were further subjected to drug-likeness and pharmacokinetic screening. Eight and thirteen of the studied agents optimally saturated the active pocket of the AChE and MAO-B respectively, forming principal interactions with a number of amino acids at the active pocket of the targets and among these compounds only rutin failed the drug-likeness test by violating four parameters while all showed moderate pharmacokinetics features. A number of Vitis vinifera-derived bioactive compounds show excellent inhibitory potential against AChE and MAO-B, and moderate pharmacokinetic features when compared to the reference ligand (tacrine). These compounds are therefore proposed as novel AChE and MAO-B inhibitors for the treatment of AD and wet-lab analysis is necessary to affirm their potency.
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  • 文章类型: Journal Article
    草药(HM)是开发主要抗病毒化合物的主要来源之一。然而,由于HMs的复杂组成,其中活性化合物的筛选效率低下,需要大量的时间投入。我们报告了一种新颖而有效的基于病毒的筛选方法,用于筛选HMs中的抗病毒活性化合物。该方法涉及病毒的离心超滤,称为基于病毒的亲和超滤方法(VAUM)。该方法适用于从复杂基质如HM中鉴定病毒特异性活性化合物。使用甲型流感病毒(IAV)H1N1评估VAUM的有效性。使用此方法,从Terminaliachebula(TC)的干果中鉴定出四种与H1N1表面蛋白结合的化合物。通过竞争性抑制试验,流感表面蛋白,神经氨酸酶(NA),被鉴定为这四种TC衍生化合物的靶蛋白。经高效液相色谱(HPLC)和液相色谱/质谱(LC/MS)联用鉴定,通过检查细胞病变效应(CPE)和进行病毒产量减少试验来验证其抗H1N1活性。进一步的机理研究表明,这三种化合物直接结合NA并抑制其活性。总之,我们在这里描述我们设计的一个VAUM,一种可用于准确筛选HMs中的抗病毒活性化合物,也有助于提高天然产物中抗病毒药物的筛选效率。
    Herbal medicines (HMs) are one of the main sources for the development of lead antiviral compounds. However, due to the complex composition of HMs, the screening of active compounds within these is inefficient and requires a significant time investment. We report a novel and efficient virus-based screening method for antiviral active compounds in HMs. This method involves the centrifugal ultrafiltration of viruses, known as the virus-based affinity ultrafiltration method (VAUM). This method is suitable to identify virus specific active compounds from complex matrices such as HMs. The effectiveness of the VAUM was evaluated using influenza A virus (IAV) H1N1. Using this method, four compounds that bind to the surface protein of H1N1 were identified from dried fruits of Terminalia chebula (TC). Through competitive inhibition assays, the influenza surface protein, neuraminidase (NA), was identified as the target protein of these four TC-derived compounds. Three compounds were identified by high performance liquid chromatography (HPLC) and liquid chromatography/mass spectrometry (LC/MS), and their anti-H1N1 activities were verified by examining the cytopathic effect (CPE) and by performing a virus yield reduction assay. Further mechanistic studies demonstrated that these three compounds directly bind to NA and inhibit its activity. In summary, we describe here a VAUM that we designed, one that can be used to accurately screen antiviral active compounds in HMs and also help improve the efficiency of screening antiviral drugs found in natural products.
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  • 文章类型: Journal Article
    在西班牙,农业的收入和残留物产生了巨大的影响。循环经济和生物经济是两种替代的可持续模式,其中包括农业食品副产品的再价值化以恢复健康的生物分子。然而,大多数作物都是常规的,暗示使用杀虫剂。因此,农业食品副产品的再利用可能涉及农药的积累。尽管废物转化为生物产品的趋势已经得到了广泛的研究,几乎没有评估副产品再增值过程中农药的潜在积累。因此,在这项研究中,根据现有的公布数据,对西班牙八种高产作物中最常见的农药进行了评估,主要来自EFSA的报告。其中,橘子,浆果和辣椒显示出农药超标的趋势。此外,考虑了农药对人类和动物健康和环境的不利影响。最后,进行了安全性评估,以了解柑橘皮回收抗坏血酸(AA)的再利用是否会对人类健康构成风险。获得的结果似乎表明该副产物恢复AA浓度以避免镰刀病(45mg/天)和改善健康(200mg/天)的安全性。因此,这项工作通过使用柑橘果皮对农业食品副产品进行再评价来评估农药暴露的潜在风险,西班牙的主要农作物之一,作为一个案例研究。
    The income and residue production from agriculture has a strong impact in Spain. A circular economy and a bioeconomy are two alternative sustainable models that include the revalorization of agri-food by-products to recover healthy biomolecules. However, most crops are conventional, implying the use of pesticides. Hence, the reutilization of agri-food by-products may involve the accumulation of pesticides. Even though the waste-to-bioproducts trend has been widely studied, the potential accumulation of pesticides during by-product revalorization has been scarcely assessed. Therefore, in this study, the most common pesticides found in eight highly productive crops in Spain are evaluated according to the available published data, mainly from EFSA reports. Among these, oranges, berries and peppers showed an increasing tendency regarding pesticide exceedances. In addition, the adverse effects of pesticides on human and animal health and the environment were considered. Finally, a safety assessment was developed to understand if the reutilization of citrus peels to recover ascorbic acid (AA) would represent a risk to human health. The results obtained seem to indicate the safety of this by-product to recover AA concentrations to avoid scurvy (45 mg/day) and improve health (200 mg/day). Therefore, this work evaluates the potential risk of pesticide exposure through the revalorization of agri-food by-products using peels from citruses, one of the major agricultural crops in Spain, as a case study.
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  • 文章类型: Journal Article
    海洋是一种宝贵的自然资源,含有许多具有各种生物活性的生物活性化合物。海洋环境包含未开发的来源,可用于分离具有生物活性的新型化合物。海洋蓝细菌是生物活性化合物的极好来源,可应用于人类健康,生物燃料,化妆品,和生物修复。这些蓝细菌具有生物活性,如抗炎,抗癌,抗菌,抗寄生虫,抗糖尿病,抗病毒,抗氧化剂,抗衰老,和抗肥胖作用,使他们成为药物开发的有希望的候选人。近几十年来,研究人员专注于从不同的海洋蓝藻物种中分离新型生物活性化合物,用于开发影响人类健康的各种疾病的治疗方法。这篇综述提供了最近探索海洋蓝藻生物活性特性的研究的最新信息,特别关注它们在人类健康应用中的潜在用途。
    The ocean is a valuable natural resource that contains numerous biologically active compounds with various bioactivities. The marine environment comprises unexplored sources that can be utilized to isolate novel compounds with bioactive properties. Marine cyanobacteria are an excellent source of bioactive compounds that have applications in human health, biofuel, cosmetics, and bioremediation. These cyanobacteria exhibit bioactive properties such as anti-inflammatory, anti-cancer, anti-bacterial, anti-parasitic, anti-diabetic, anti-viral, antioxidant, anti-aging, and anti-obesity effects, making them promising candidates for drug development. In recent decades, researchers have focused on isolating novel bioactive compounds from different marine cyanobacteria species for the development of therapeutics for various diseases that affect human health. This review provides an update on recent studies that explore the bioactive properties of marine cyanobacteria, with a particular focus on their potential use in human health applications.
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  • 文章类型: Journal Article
    Phenolic compounds have recently gained interest, as they have been related to improvements in health and disease prevention, such as inflammatory intestinal pathologies and obesity. However, their bioactivity may be limited by their instability or low concentration in food matrices and along the gastrointestinal tract once consumed. This has led to the study of technological processing with the aim of optimizing phenolic compounds\' biological properties. In this sense, different extraction systems have been applied to vegetable sources for the purpose of obtaining enriched phenolic extracts such as PLE, MAE, SFE, and UAE. In addition, many in vitro and in vivo studies evaluating the potential mechanisms of these compounds have also been published. This review includes a case study of the Hibiscus genera as an interesting source of phenolic compounds. The main goal of this work is to describe: (a) phenolic compound extraction by designs of experiments (DoEs) applied to conventional and advanced systems; (b) the influence of the extraction system on the phenolic composition and, consequently, on the bioactive properties of these extracts; and (c) bioaccessibility and bioactivity evaluation of Hibiscus phenolic extracts. The results have pointed out that the most used DoEs were based on response surface methodologies (RSM), mainly the Box-Behnken design (BBD) and central composite design (CCD). The chemical composition of the optimized enriched extracts showed an abundance of flavonoids, as well as anthocyanins and phenolic acids. In vitro and in vivo studies have highlighted their potent bioactivity, with particular emphasis on obesity and related disorders. This scientific evidence establishes the Hibiscus genera as an interesting source of phytochemicals with demonstrated bioactive potential for the development of functional foods. Nevertheless, future investigations are needed to evaluate the recovery of the phenolic compounds of the Hibiscus genera with remarkable bioaccessibility and bioactivity.
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  • 文章类型: Journal Article
    睡眠不足现在被认为是与许多严重健康问题相关的新兴全球流行病。以及财政和社会负担的主要原因。睡眠和心理健康密切相关,进一步加剧睡眠不足对整体健康和福祉的负面影响。常规治疗的一个主要缺点是通常与苯二氮卓类药物和抗抑郁药相关的各种不良副作用。比最初的疾病更虚弱。因此,探索其他补救措施与现有常规治疗的互补性和协同作用的效率是有价值的。导致可能减少不良副作用。这篇综述探讨了微藻生物活性物质作为有价值的植物化学物质的可持续来源的相关性,这些化学物质可以对情绪和睡眠障碍产生积极影响。产生这些化合物的微藻物种也被编目,从而创造了一个有用的参考国家的艺术进一步探索这种建议的方法。当我们强调等待调查的可能性时,我们还确定了相关的问题,包括治疗效果的最小剂量,生物利用度,与常规治疗的可能相互作用以及穿越血脑屏障的能力。我们得出的结论是,微藻生物活性物质的物理和生物功能化可能具有克服其中一些挑战的潜力。
    Sleep deficiency is now considered an emerging global epidemic associated with many serious health problems, and a major cause of financial and social burdens. Sleep and mental health are closely connected, further exacerbating the negative impact of sleep deficiency on overall health and well-being. A major drawback of conventional treatments is the wide range of undesirable side-effects typically associated with benzodiazepines and antidepressants, which can be more debilitating than the initial disorder. It is therefore valuable to explore the efficiency of other remedies for complementarity and synergism with existing conventional treatments, leading to possible reduction in undesirable side-effects. This review explores the relevance of microalgae bioactives as a sustainable source of valuable phytochemicals that can contribute positively to mood and sleep disorders. Microalgae species producing these compounds are also catalogued, thus creating a useful reference of the state of the art for further exploration of this proposed approach. While we highlight possibilities awaiting investigation, we also identify the associated issues, including minimum dose for therapeutic effect, bioavailability, possible interactions with conventional treatments and the ability to cross the blood brain barrier. We conclude that physical and biological functionalization of microalgae bioactives can have potential in overcoming some of these challenges.
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  • 文章类型: Journal Article
    由于气候变化的显著影响,传统农业生产面临众多挑战。特别是全球变暖,干旱比历史上任何时候都多,主要关注的是生产足够的产量和高质量,有营养的植物材料。同样,人们越来越多地寻找新的食物来源,并意识到多样化饮食的重要性及其与健康的联系。在这个意义上,刺痛荨麻(UrticadioicaL.)是一种珍贵的物种,被忽略为食物来源,因为它含有大量的特殊代谢物,因此在营养和药理上都具有极高的潜力,但传统上仍然是从自然栖息地收集的,所以它可能质量可疑,化学成分不明确。因此,可持续农业实践越来越多地转向温室中的现代水培种植方法。优点在于在培养过程中更容易管理和控制许多因素(空气温度和相对湿度,平衡合理施肥,最小化硝酸盐的吸收,等。),根据荨麻的需要,确保荨麻的生长和发育有更好的条件。这篇综述的目的是概述田间刺痛荨麻种植技术,并展示用现代水培技术种植的可能性,以获得一致和均匀质量的最终产品,高含量的专门代谢产物和显著的营养价值。关于这一主题的研究仍然很少,但将来肯定会增加。因此,这篇综述为此类未来研究提供了所有必要的数据.
    Conventional agricultural production faces numerous challenges due to the pronounced effects of climate change, particularly global warming, and drought more than ever before in history, with the primary concern being to produce adequate yields and high-quality, nutritious plant material. Likewise, people are increasingly looking for new sources of food and are becoming aware of the importance of a varied diet and its connection to health. In this sense, stinging nettle (Urtica dioica L.) stands out as a valuable species that is neglected as a food source, as it has a significant content of specialized metabolites, and thus has an extremely high potential for use both nutritionally and pharmacologically, but is still traditionally collected from natural habitats, so it can be of questionable quality and undefined chemical composition. Therefore, sustainable agricultural practices are increasingly shifting to modern hydroponic cultivation methods in greenhouses. The advantage lies in the easier management and control of a number of factors during cultivation (air temperature and relative humidity, balanced and rational fertilization, minimization of nitrate uptake, etc.), ensuring better conditions for the growth and development of nettle according to its needs. The aim of this review is to give an overview of the technology of stinging nettle cultivation in the field and to show the possibilities of cultivation with modern hydroponic techniques to obtain a final product of consistent and uniform quality, high content of specialized metabolites and significant nutritional value. Research on this topic is still sparse but will certainly increase in the future. Therefore, this review provides all the necessary data for such future studies.
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  • 文章类型: Journal Article
    葡萄渣和葡萄籽是农业工业副产品,其治疗不当会引起社会经济和环境问题。然而,可以通过提取它们的生物活性化合物来使它们增值,如抗氧化剂(酚类化合物),维生素E和脂肪酸。使用固-液萃取法提取生物活性化合物。葡萄果渣酚类化合物的产率为18.4±0.4%,17.4±0.4%,葡萄籽.为了石油,葡萄渣和葡萄籽的产量分别为13.3±0.2%和14.5±0.3%。通过使用2,2-二苯基-1-吡啶酰肼(DPPH)的测定法评估抗氧化能力,表明酚类提取物比油脂具有更高的抗氧化能力。葡萄果渣和葡萄籽提取物展示,相应地,DPPH抑制的值为90.8±0.8和87.5±0.5,IC50为48.9±0.5和55.9±0.7μg提取物·mLDPPH-1。通过圆盘扩散试验评估抗菌能力,并透露,酚类提取物抑制金黄色葡萄球菌和表皮葡萄球菌的生长。将获得的提取物掺入10种面霜配方中,配方稳定剂的数量略有变化。他们的稳定性研究了35天,这揭示了将从副产品中获得的提取物和油作为抗氧化剂掺入化妆品中的可能性,并取代合成的。作为未来的建议,应进行提取物的微囊化,以增加其稳定性。
    Grape pomace and grapeseed are agro-industrial by-products, whose inadequate treatment generates socioeconomic and environmental concerns. Nevertheless, it is possible to valorize them by extracting their bioactive compounds, such as antioxidants (phenolic compounds), vitamin E and fatty acids. The bioactive compounds were extracted using solid-liquid extraction. The yields for phenolic compounds were 18.4 ± 0.4% for grape pomace, and 17.4 ± 0.4%, for grapeseed. For the oil, the yields were 13.3 ± 0.2% and 14.5 ± 0.3% for grape pomace and grapeseed. Antioxidant capacity was assessed by the assay with 2,2-diphenyl-1-picrylhydrazyl (DPPH), and showed that phenolic extract has higher antioxidant capacity than the oils. Grape pomace and grapeseed extracts exhibit, correspondingly, values of 90.8 ± 0.8 and 87.5 ± 0.5 of DPPH inhibition and IC50 of 48.9 ± 0.5 and 55.9 ± 0.7 μgextract·mLDPPH-1. The antimicrobial capacity was assessed by the disk diffusion test, and revealed that, phenolic extracts inhibit the growth of Staphylococcus aureus and Staphylococcus epidermidis. The obtained extracts were incorporated in 10 face cream formulations, with slight modifications in quantities of formulation stabilizers. Their stability was studied for 35 days, and this revealed the possibility of incorporating extracts and oils obtained from by-products as antioxidants in cosmetics, and replacing synthetic ones. As a future recommendation, microencapsulation of the extracts should be performed, in order to increase their stability.
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  • 文章类型: Journal Article
    COVID-19大流行,以及病毒性疾病在全球范围内的普遍增加,导致研究人员将植物界视为抗病毒化合物的潜在来源。自古以来,草药已广泛应用于不同传统系统中各种传染病的治疗和预防。这篇综述的目的是强调植物化合物作为抗病毒感染的有效和可靠的药物的潜在抗病毒活性。尤其是冠状病毒组的病毒。讨论了植物粗提物和植物衍生的生物活性化合物显示的各种抗病毒机制。对复杂植物提取物和分离的植物衍生化合物的作用机制的理解将有助于为对抗这种危及生命的疾病铺平道路。Further,分子对接研究,提取化合物的计算机模拟分析,和未来的前景都包括在内。还考虑了使用分子制药从植物中体外生产抗病毒化合物。值得注意的是,毛状根培养物代表了获得一系列生物活性化合物的有希望和可持续的方式,这些化合物可用于开发新型抗病毒剂。
    The COVID-19 pandemic, as well as the more general global increase in viral diseases, has led researchers to look to the plant kingdom as a potential source for antiviral compounds. Since ancient times, herbal medicines have been extensively applied in the treatment and prevention of various infectious diseases in different traditional systems. The purpose of this review is to highlight the potential antiviral activity of plant compounds as effective and reliable agents against viral infections, especially by viruses from the coronavirus group. Various antiviral mechanisms shown by crude plant extracts and plant-derived bioactive compounds are discussed. The understanding of the action mechanisms of complex plant extract and isolated plant-derived compounds will help pave the way towards the combat of this life-threatening disease. Further, molecular docking studies, in silico analyses of extracted compounds, and future prospects are included. The in vitro production of antiviral chemical compounds from plants using molecular pharming is also considered. Notably, hairy root cultures represent a promising and sustainable way to obtain a range of biologically active compounds that may be applied in the development of novel antiviral agents.
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  • 文章类型: Journal Article
    本文分析了以碳水化合物聚合物为载体喷雾干燥苦莓汁的半工业过程。提出并测试了木薯糊精(Dx)作为替代载体,并将其与麦芽糖糊精载体(MDx)进行了比较。这是工业实践中最常见的。选定工艺参数的影响(载体类型和含量,进气温度,雾化器速度)对干燥的苦莓粉的特性进行了研究。粉末颗粒的尺寸和微观结构,体积和表观密度,孔隙度,流动性,产量和生物活性进行了分析。与MDX相比,Dx载体改善了处理性能,产量和生物活性。Dx载体含量的增加改善了酚类含量,抗氧化能力,流动性和导致更大的粉末产量。干燥温度的增加增加了颗粒的尺寸并改善了粉末的流动性,但也导致了酚类含量和抗氧化能力的更大损失。旋转雾化器速度对所得粉末的生物活性的影响最显著,随着增长而增长。以下条件对木薯淀粉糊精(Dx)为载体的苦莓汁最有利:入口空气温度,160°C;旋转雾化器速度,15,000rpm;和Dx载体含量,60%。
    This paper analyses the semi-industrial process of spray drying chokeberry juice with carbohydrate polymers used as a carrier. Tapioca dextrin (Dx) was proposed and tested as an alternative carrier and it was compared with maltodextrin carriers (MDx), which are the most common in industrial practice. The influence of selected process parameters (carrier type and content, inlet air temperature, atomiser speed) on the characteristics of dried chokeberry powder was investigated. The size and microstructure of the powder particles, the bulk and apparent density, porosity, flowability, yield and bioactive properties were analysed. In comparison with MDx, the Dx carrier improved the handling properties, yield and bioactive properties. An increase in the Dx carrier content improved the phenolic content, antioxidant capacity, flowability and resulted in greater yield of the powder. An increase in the drying temperature increased the size of particles and improved powder flowability but it also caused a greater loss of the phenolic content and antioxidant capacity. The rotary atomizer speed had the most significant effect on the bioactive properties of obtained powders, which increased along with its growth. The following conditions were the most favourable for chokeberry juice with tapioca dextrin (Dx) as the carrier: inlet air temperature, 160 °C; rotary atomizer speed, 15,000 rpm; and Dx carrier content, 60%.
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