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Identification Of Aquatic Plant Species From Bantimurung Waterfall And Their Phytochemical Compounds Analysis 班提木隆瀑布水生植物种类鉴定及植物化学成分分析
Pub Date : 2019-10-22 DOI: 10.14203/ANN.BOGOR.2019.V23.N1.41-48
M. Nugraha, Fasya Hadaina Maharani, H. Novita, M. A. Rajamuddin, R. Yunita, R. Reflinur, W. Enggarini, A. Julzarika, B. Elya
A total of 21 aquatic plant species were collected from Bantimurung waterfall areas, South Sulawesi, Indonesia, in October 2017. These plant materials were subjected to both species and phytochemicals identification. The aims of this study were to determine the species or taxonomic rank of Indonesian aquatic plants collected from Bantimurung waterfall, South Sulawesi, Indonesia and to identify their chemical compounds (phytochemicals) as a candidate for new herbal medicine. Plant genetic materials used in this study were collected from Bantimurung Bulusaraung waterfall and were then identified based on standard botanical techniques for species identification in the Herbarium Bogoriense, Research center for Biology Indonesian Institute of Science (LIPI), Cibinong, West Java. The samples were subjected to the phytochemistry screening such as alkaloids, flavonoids, tannins, saponins, glycosides, terpenoids and anthraquinone followed the procedures of Indonesian Materia Medika and Harborne.  Results showed that all collected aquatic plant samples were able to be identified, including their species names. Phytochemical screening of each sample revealed the presence of glycoside in all of the tested species. However, no alkaloids, anthraquinones, and terpenoids were observed in those tested plant samples. Of the total 21 aquatic plants, 14 species contained flavonoids, 8 species contained phenol compound, and 10 species contained saponins. Among these species Donnax canniformis possessed good antioxidant activity, which correlated to its total phenolic and flavonoid contents. Our results would be beneficial for any future effort in the development of new herbal drugs derived from aquatic plants.
2017年10月,在印度尼西亚南苏拉威西省Bantimurung瀑布地区共采集了21种水生植物。对这些植物材料进行了种类鉴定和植物化学成分鉴定。本研究的目的是确定印度尼西亚南苏拉威西省Bantimurung瀑布水生植物的种类或分类等级,并鉴定其化学成分(植物化学物质)作为新草药的候选物。本研究中使用的植物遗传物质采集自Bantimurung buusaraung瀑布,并根据西爪哇奇比农印度尼西亚科学研究所生物研究中心(LIPI) Bogoriense植物标本馆物种鉴定的标准植物学技术进行鉴定。对样品进行生物碱、黄酮类、单宁类、皂苷类、苷类、萜类、蒽醌类等植物化学筛选,筛选方法参照印尼中药材和紫檀药材。结果表明,收集到的所有水生植物样本都能被识别,包括其物种名称。每个样品的植物化学筛选显示,所有被测物种中都存在糖苷。然而,在这些被测试的植物样品中没有观察到生物碱、蒽醌和萜类化合物。在21种水生植物中,黄酮类化合物14种,酚类化合物8种,皂苷10种。其中木参具有较好的抗氧化活性,其抗氧化活性与其总酚和类黄酮含量有关。我们的研究结果将有助于今后开发从水生植物中提取的新型草药。
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引用次数: 2
Overexpression of OsHox-6 Gene Enhanced Tiller Number in Rice But Induced Yield Penalty OsHox-6基因的过表达增加了水稻分蘖数,但造成了产量损失
Pub Date : 2019-10-22 DOI: 10.14203/ANN.BOGOR.2019.V23.N1.30-40
S. Rahmawati, Chairunnisa Chairunnisa, E. Erdayani, S. Nugroho, A. Estiati
OsHox-6, belongs to the transcription factor homeodomain leucine zipper (HD-Zip) protein sub-family I, has unknown function. This study was aimed to characterize the phenotypes of two homozygous transgenic rice lines (S29-62-2 and S.40.4-158-1) containing an extra copy of OsHox-6 gene under the control of a rice constitutive promoter, OsLEA3, and to evaluate their tolerance to water stress. A real-time quantitative PCR (qRT-PCR) showed that the transcript expression of OsHox-6 gene in the transgenic lines increased 5-10 folds under a normal irrigation and 10-20 folds after exposure to water stress conditions as compared to its wild type control. Transgenic plants overexpressing OsHox-6 exhibited phenotypic alteration at the normal irrigation by inducing tiller formation, suggesting a decrease in the apical dominance. Transgenic plants also showed significant enhancement in the total grain number, however, the number of empty grains  also increased significantly (~16-22%).  After imposed to the water stress, the number of empty grains in the transgenic lines was even higher (up to 83% in average). Furthermore, observations on the water loss rates, relative water contents and drought resistance indices (DRI) suggested that the overexpression of OsHox-6 did not significantly increase tolerance to water stress.  Further research is required to reveal the detailed mechanisms of OsHox-6 in response to water and other abiotic stresses.
OsHox-6属于转录因子同源结构域亮氨酸拉链(HD-Zip)蛋白亚家族I,功能未知。本研究在水稻组成启动子OsLEA3的控制下,对含有OsHox-6基因额外拷贝的两个纯合子转基因水稻品系(S29-62-2和S.40.4-158-1)的表型进行了表征,并评价了它们对水分胁迫的耐受性。实时荧光定量PCR (real-time quantitative PCR, qRT-PCR)结果显示,与野生型对照相比,OsHox-6基因在正常灌溉条件下表达量增加了5-10倍,在水分胁迫条件下表达量增加了10-20倍。过表达OsHox-6的转基因植株在正常灌溉条件下表现出表型改变,诱导分蘖形成,表明顶端优势降低。转基因植株的总粒数显著增加,空粒数也显著增加(~16-22%)。在施加水分胁迫后,转基因品系的空粒数更高(平均高达83%)。此外,对水分损失率、相对含水量和抗旱性指数(DRI)的观察表明,过表达OsHox-6对水分胁迫的耐受性没有显著提高。需要进一步的研究来揭示OsHox-6对水和其他非生物胁迫响应的详细机制。
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引用次数: 0
Diversity and Antimicrobial Activity of Lichens-Associated Actinomycetes in Cibinong Science Centre (CSC) and Cibodas Botanical Garden (CBG) Indonesia 印度尼西亚慈滨农科学中心(CSC)和慈滨达斯植物园(CBG)地衣相关放线菌的多样性和抗菌活性
Pub Date : 2019-10-22 DOI: 10.14203/ANN.BOGOR.2019.V23.N1.1-12
A. E. Susanti, S. Ratnakomala, W. Mangunwardoyo, P. Lisdiyanti
    Bioprospecting has developed to all biological taxa including procaryotic. Actinomycetes become interesting procaryotic because of the ability to produce important secondary metabolite for human life. Actinomycetes are known as the largest antibiotic producer that has a broad range habitat. Some research has been done to find new antibiotic from the various habitat of actinomycetes. One of the interesting habitats of actinomycetes which never been explored in Indonesia is lichens... Lichens as the symbiotic structure of alga and fungi areknown as the ecological niche of various kinds of microorganisms including actinomycetes. Cibinong Science Centre (CSC) and Cibodas Botanical Garden (CBG) have various species of trees as the habitat of lichens. These areas are known as one of the research locations to explore the biodiversity of Indonesia. The aims of this research is to study the diversity and antimicrobial potency of actinomycetes isolated from 10 lichen samples with various type of thallus; crustose, fructose and foliose. Lichen samples were grown on the bark of 9 trees species in CSC and CBG. Isolation process used three agar media; HV, YIM6 and YIM711 with cycloheximide and nalidixic acid. Molecular identification based on 16S rRNA gene sequence. Antimicrobial activity was tested to 65 isolates by agar diffusion method to Bacillus subtilis BTCC B.612, Escherichia coli BTCC B.614, Candida albicans BTCC Y.33, Staphylococcus aureus BTCC B.611, Micrococcus luteus BTCC B.552. Isolation process retrieved 125 isolates with the highest number grow on HV agar medium. Based on the sample, the highest number of actinomycetes were isolated from crustose lichen attached on the bark of Averrhoea carambola. A total 69 isolates were identified as the genera Actinoplanes, Amycolatopsis, Angustibacter, Kribbella, Micromonospora, Mycobacterium, and Streptomyces. The screening process showed 24 isolates have antimicrobial activity, with the highest inhibitory activity against Micrococcus luteus BTCC B.552.
生物勘探已发展到包括原核生物在内的所有生物类群。放线菌由于能够产生对人类生命重要的次生代谢物而成为人们感兴趣的原核生物。放线菌被认为是最大的抗生素生产者,具有广泛的栖息地。从放线菌的各种栖息地中寻找新的抗生素已经做了一些研究。印度尼西亚从未探索过的放线菌的有趣栖息地之一是地衣……地衣作为藻类和真菌的共生结构,是包括放线菌在内的多种微生物的生态位。慈滨农科学中心(CSC)和慈滨达植物园(CBG)有各种各样的树木作为地衣的栖息地。这些地区被认为是探索印度尼西亚生物多样性的研究地点之一。研究了10种不同菌体地衣样品中放线菌的多样性及其抑菌力;果糖,果糖和叶酸。在CSC和CBG的9种树种的树皮上生长地衣样品。分离过程采用三种琼脂培养基;HV, YIM6和YIM711与环己亚胺和钠二酸。基于16S rRNA基因序列的分子鉴定。采用琼脂扩散法测定了65株分离菌株对枯草芽孢杆菌BTCC B.612、大肠杆菌BTCC B.614、白色念珠菌BTCC Y.33、金黄色葡萄球菌BTCC B.611、黄体微球菌BTCC B.552的抑菌活性。分离得到125株,在HV琼脂培养基上生长的数量最多。结果表明,从杨桃树皮上附着的硬壳地衣中分离到的放线菌数量最多。分离得到放线菌属、Amycolatopsis属、Angustibacter属、Kribbella属、Micromonospora属、Mycobacterium属和Streptomyces属69株。筛选结果显示,24株分离物均有抑菌活性,其中对黄体微球菌BTCC B.552抑菌活性最高。
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引用次数: 0
Enzyme Production From Cassava Peels by Aspergillus Awamori KT-11: The Making of Natural Sweetener From Several Tubbers Awamori曲霉KT-11从木薯皮中产酶:从几种块茎中制备天然甜味剂
Pub Date : 2019-10-22 DOI: 10.14203/ANN.BOGOR.2019.V23.N1.20-29
R. Melliawati, F. Rahman
The use of cassava (Manihot esculenta Crantz) peel for enzyme production has not been widely used. The purpose of this study was to produce complex amylase enzymes from cassava peel by A. awamori KT-11 and apply them in the manufacture of natural sweeteners. Enzyme production is carried out on red and white cassava peel. Media of cassava peel sterilized, inoculated with 1%  A. awamori KT-11, incubated for 5 days, then dried at 50°C and mashed. Making sugar is done on cassava flour, sweet potato ( Ipomoea batatas L), taro (Colocasia esculenta) and cocoyam (Xanthosoma sagittifolium) with different concentrations of 10%, 15%, 20%, and 15% and 20% enzyme concentrations. The hydrolysis process is carried out for 3 days at 60°C. The enzyme activity in red cassava peel was 405,006 U/mL and white cassava peel was 321,239 U/ml. The sugar produced in cassava, taro, sweet potato, and Cocoyam was 101.38 mg/mL, 81.18 mg/mL, 55.929 mg/mL, and 42.874 mg/mL, respectively. The results of TLC showed that cassava and taro sugar  contain maltose, lactose and glucose, sweet potatoes contained glucose and dextrin and Cocoyam containing fructose. The sweetness level of sugar from cassava, taro, sweet potato and Cocoyam is 14 brix, 12 brix, 9 brix and 9 brix, respectively.
木薯(Manihot esculenta Crantz)皮用于酶生产尚未得到广泛应用。本研究的目的是利用A. awamori KT-11从木薯皮中提取复合淀粉酶,并将其应用于天然甜味剂的生产。酶的生产是在红白木薯皮上进行的。木薯皮消毒后的培养基,接种1%的A. awamori KT-11,孵育5天,50℃干燥,捣碎。制糖是在木薯粉、甘薯(Ipomoea batatas L)、芋头(Colocasia esculenta)和椰子(Xanthosoma sagittifolium)上进行的,酶浓度分别为10%、15%、20%和15%和20%。水解过程在60℃下进行3天。红色木薯皮酶活性为405,006 U/mL,白色木薯皮酶活性为321,239 U/mL。木薯、芋头、红薯和椰子树的产糖量分别为101.38 mg/mL、81.18 mg/mL、55.929 mg/mL和42.874 mg/mL。薄层色谱分析结果表明,木薯和芋头糖中含有麦芽糖、乳糖和葡萄糖,红薯中含有葡萄糖和糊精,椰子中含有果糖。木薯、芋头、红薯和椰子树的糖甜度分别为14、12、9和9度。
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引用次数: 3
Understanding the Increased Fruit Content of Soluble Proteins, Sugars, Certain Enzyme Activities, and Certain Polyphenols in Context to Date Fruit Ripening 了解可溶性蛋白质、糖、某些酶活性和某些多酚含量的增加与果实成熟日期的关系
Pub Date : 2019-10-22 DOI: 10.14203/ANN.BOGOR.2019.V23.N1.49-57
S.S.M. Alqarni, M. Bazzi
Introduction: To understand the increased fruit content of soluble proteins, sugars, certain enzymes activities, and certain polyphenols in context to date fruit ripening. Materials and Methods: The study collected four varieties of date fruits from a farm in Riyadh, Saudi Arabia. In it, 10-14-day intervals separated the various stages of maturity. The process of sample preparation and extraction includes the samples of fruits at different stages of maturation. Results and Discussion: The Polyphenols oxidize activity appeared to decline with further maturation of date fruit. There was an increase in the protein content and the reducing sugar in all varieties of dates. The changes in the total sugar and reducing sugar occurred due to the increased enzyme’s activity. Conclusion: The reducing sugar increased in all varieties of the date fruit. The coordination of the enzyme might influence the quality of the ripening of date fruits.
简介:了解可溶性蛋白质、糖、某些酶活性和某些多酚含量的增加与水果成熟日期的关系。材料和方法:该研究从沙特阿拉伯利雅得的一个农场收集了四种枣子。其中,10-14天的间隔分隔了不同的成熟阶段。样品的制备和提取过程包括不同成熟阶段的水果样品。结果与讨论:随着枣果实成熟程度的加深,多酚氧化活性呈下降趋势。各品种红枣的蛋白质含量和还原糖含量均有所增加。总糖和还原糖的变化是由于酶活性的增加而发生的。结论:各品种枣果实中还原糖含量均有所增加。两种酶的协同作用影响着枣果实的成熟质量。
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引用次数: 0
Morphology and molecular characterization of newly isolated microalgae strain Chlorella volutis LIPI13-WKT066 from Wakatobi Islands and its potential use Wakatobi群岛新分离的小球藻(Chlorella volutis) LIPI13-WKT066的形态、分子特征及其应用前景
Pub Date : 2019-10-22 DOI: 10.14203/ANN.BOGOR.2019.V23.N1.13-19
D. Y. Rahman, S. Praharyawan, S. Raharjo, F. Fadiyah, D. Susilaningsih
Morphology and molecular characterization of microalgae isolated from Wakatobi Marine National Park was conducted. An understanding of the characteristics of morphology, molecular, as well as metabolites profile of the microalgae species is potentially useful for its future application. The primary aim of this study was to isolate, identify and characterize the microalgae strain isolated from Wakatobi Marine National Park labeled as LIPI13-WKT066 with the emphasis on the evaluation of amino acid content as a basis for its health application. Morphological observation under the microscope and molecular identification suggested that the microalgae strain of LIPI13-WKT066 belong to the strain under species of Chlorella volutis. Metabolite characterization of the microalgae strain showed that the content of protein (11.9%), lipid (12.4%) and carbohydrate (4.7%) was in the regular range. Further analysis of its amino acid content revealed the potency of the microalgae strain to be used as antihypertensive agent.
研究了从Wakatobi海洋国家公园分离的微藻的形态和分子特征。了解微藻的形态特征、分子特征以及代谢产物特征,对其未来的应用具有潜在的指导意义。本研究的主要目的是分离、鉴定和表征从Wakatobi Marine National Park分离的微藻菌株,标记为LIPI13-WKT066,重点评价其氨基酸含量,作为其健康应用的基础。显微镜下形态学观察和分子鉴定表明,该微藻菌株LIPI13-WKT066属于小球藻(Chlorella volutis)种下的菌株。微藻代谢产物表征表明,该菌株的蛋白质(11.9%)、脂肪(12.4%)和碳水化合物(4.7%)含量在正常范围内。对其氨基酸含量的进一步分析表明,该微藻菌株可作为降压药。
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引用次数: 1
Amelioration of Salt Tolerance in Soybean (Glycine Max. L) by Plant-Growth Promoting Endophytic Bacteria Produce 1-Aminocyclopropane-1-Carboxylase Deaminase 大豆(Glycine Max)耐盐性的改良。L)通过促进植物生长的内生细菌产生1-氨基环丙烷-1-羧化酶脱氨酶
Pub Date : 2018-12-31 DOI: 10.14203/ANN.BOGOR.2018.V22.N2.81-93
R. Simarmata, N. Ngadiman, S. Rohman, P. Simanjuntak
     Salinity is a major abiotic stress that can induce ethylene synthesis beyond the normal limits as plants response to stress and hence reduces crop productivity. The 1-aminocyclopropane-1-carboxylase deaminase (ACCD)-producing bacteria can reduce excessive ethylene synthesis by taking ACC (ethylene precursor) as a nitrogen source. This study showed the possibility of using endophytic bacteria in order to reduce the undesirable effects of salinity. Strain Pseudomonas putida PIR3C and Roultella terrigena PCM8 exhibited promising performance for promoting the growth of plant under salinity stress conditions. The results showed that bacterial inoculation was effective even in the presence of higher salinity levels. Strain P. putida PIR3C was the most efficient strain compared to the other strains and significantly increased shoot length, root length, dry weight, germination percentage, and reduced stem diameter. The role of ACCD in reducing ethylene production under salinity stress conditions was also studied by measuring the evolution of ethylene in vitro by soybean seeds treated with some ACCD bacterial strain. The maximum ethylene lowering capacity was observed in R. terrigena PCM8, the strain reduced ethylene production from 622.81 nmol.g-1(control) to 352.78 nmol.g-1 (43% reduction). The production of α-ketobutyrate, chlorophyll content and germination percentage from P. putida PIR3C was higher than other strains. The results suggested that strain P. putida PIR3C and R. terrigena PCM8 can be employed for salinity tolerance in soybean seedlings and may have better prospects for an amelioration of stress condition.
盐度是一种主要的非生物胁迫,植物对胁迫的反应会导致乙烯合成超出正常限度,从而降低作物产量。产生1-氨基环丙烷-1-羧化酶脱氨酶(ACCD)的细菌以ACC(乙烯前体)为氮源,可以减少过量的乙烯合成。本研究显示了利用内生细菌来减少盐度不良影响的可能性。菌株恶臭假单胞菌PIR3C和泰瑞氏罗特菌PCM8在盐胁迫条件下对植物生长有良好的促进作用。结果表明,即使在较高的盐度水平下,细菌接种也是有效的。与其他菌株相比,菌株p.p putida PIR3C效率最高,显著增加了茎长、根长、干重、发芽率,并减小了茎粗。通过测定不同菌株处理过的大豆种子体外乙烯的演化,研究了在盐胁迫条件下,ACCD对乙烯的抑制作用。以terrigena PCM8为对照菌株,乙烯产量由622.81 nmol.g-1降至352.78 nmol.g-1。G-1(减少43%)。该菌株α-酮丁酸酯产量、叶绿素含量和发芽率均高于其他菌株。结果表明,putida p.p ir3c和R. terrigena PCM8菌株可用于大豆幼苗耐盐性,在改善胁迫条件方面具有较好的前景。
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引用次数: 5
Optimization of Expression Condition, Two Dimensional And Melting Point-Based Characterization of Recombinant Human Interferon Alpha-2a Fusion and Non Fusion Forms 重组人α -2a干扰素融合与非融合形式表达条件优化、二维及熔点表征
Pub Date : 2018-12-31 DOI: 10.14203/ANN.BOGOR.2018.V22.N2.57-64
R. A. Ningrum, Widdya Kusuma Wardhani, I. Wahyuni, A. Z. Mustopa
     Recombinant Human Interferon Alpha-2a (rhIFNα-2a) is a therapeutic protein that used in hepatitis and cancer treatments. In our previous research, we developed higher molecular weight of the protein through human serum albumin fusion. The fusion and non fusion form of rhIFNα-2a were produced in Pichia pastoriswith 86 kDa and 19 kDa in size respectively. In previous research, protein yield was not reproducible due to unoptimized expression conditions. This reseach was aimed to optimize expression condition process and to characterize the fusion and non fusion forms of rhIFNα-2a. The parameters to observe in overproduction include nutrient (media and methanol concentration) and non nutrient (temperature andincubation period). Affinity and size exclusion cromatographicwere compared in protein purification. BCA assay was used to determine quantity of protein. Protein characterization was conducted using two-dimensional SDS PAGE and denaturation analyses. The optimal condition of expression was achieved using complex media with 1% of methanol for 3 day incubation period at 25°C. The protein yield was reproducible and higher comparing to previous research. Affinity chromatography resulted in higher purity of the proteins comparing to size exclusions. Characterization using two dimensional gel analysis revealed that isoelectric point of rhIFNα-2a is 6.5 for fusion form and 6.0 for non fusion form. The melting points of fusion protein were 56°C and 62°C whilst that of non fusion was 56°C.
重组人干扰素α-2a (rhIFNα-2a)是一种用于肝炎和癌症治疗的治疗蛋白。在我们之前的研究中,我们通过人血清白蛋白融合开发了更高分子量的蛋白质。在毕赤酵母中产生融合型和非融合型rhIFNα-2a,大小分别为86 kDa和19 kDa。在以前的研究中,由于未优化表达条件,蛋白质产量不可重复。本研究旨在优化rhIFNα-2a的表达条件,并对其融合和非融合形式进行表征。过量生产中需要观察的参数包括营养物(培养基和甲醇浓度)和非营养物(温度和孵育期)。比较了亲和层析法和大小排斥层析法纯化蛋白质的效果。BCA法测定蛋白量。通过二维SDS - PAGE和变性分析进行蛋白表征。在含1%甲醇的复合培养基中,在25℃条件下孵育3天,达到最佳表达条件。与以往的研究相比,该方法的蛋白质产量具有较高的重复性和重复性。亲和层析法得到的蛋白质纯度比大小排除法高。二维凝胶表征表明,rrhifn α-2a的等电点在融合形态下为6.5,在非融合形态下为6.0。融合蛋白的熔点为56℃和62℃,未融合蛋白的熔点为56℃。
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引用次数: 0
Non Invasive Detection of Dengue Viruses from Saliva: In vitro Study 唾液中登革病毒的无创检测:体外研究
Pub Date : 2018-12-31 DOI: 10.14203/ANN.BOGOR.2018.V22.N2.75-80
Budi Saksono
      In the previous paper, we had succeeded in developing an early detection system of dengue viruses using Sugar liganded Gold Nano Particle (SGNP) only from 6 μL serum. It has been reported that dengue virus is also detected in the saliva and urine of the patient. The evidences lead to the possibility of developing non-invasive methods of dengue virus detection. In this in vitro study, we evaluated the utility of SGNP to capture and concentrate dengue virion in 10% saliva solution. The results showed that dengue virion was successfully detected in 10% of saliva solution. Analysis of virion stability during storage showed that virions in salivary samples were stable up to 3 days at temperature wherease the RNA has significantly degraded. Although still a preliminary study, the data obtained show the prospect of SGNP as a non-invasive dengue virus detection method, as well as the development of POC (Point of Care) method. Clinical trials using saliva from dengue viruses infected patients need to be done to prove the effectiveness of the SGNP method.
在之前的研究中,我们成功地利用6 μL血清中的糖配体金纳米粒子(SGNP)建立了登革病毒的早期检测系统。据报道,在患者的唾液和尿液中也检测到登革热病毒。这些证据为开发无创登革热病毒检测方法提供了可能。在这项体外研究中,我们评估了SGNP在10%唾液溶液中捕获和浓缩登革热病毒粒子的效用。结果表明,在10%的唾液溶液中成功检出登革热病毒粒子。对病毒粒子储存稳定性的分析表明,唾液样品中的病毒粒子在温度下可稳定3天,但RNA已明显降解。虽然仍处于初步研究阶段,但所获得的数据显示了SGNP作为一种非侵入性登革热病毒检测方法的前景,以及POC (Point of Care)方法的发展。需要对登革热病毒感染患者的唾液进行临床试验,以证明SGNP方法的有效性。
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引用次数: 0
Molecular Docking and Molecular Dynamics Study of Alcoholic Compounds as Mycobactericidal Agents Using InhA, MabA and PanK as Receptors 以InhA、MabA和PanK为受体的酒精类化合物作为分枝杆菌剂的分子对接和分子动力学研究
Pub Date : 2018-12-31 DOI: 10.14203/ANN.BOGOR.2018.V22.N2.101-115
G. Syahputra, A. Arwansyah, W. Kusharyoto
     Tuberculosis (TB) infection is one of the primaryinfectious diseases in many developing countries; even there are minor cases in some developed countries. TB infection spread through the air and ismore probable when using improper disinfectant on medical and laboratory equipment which related to TB research. The appropriate disinfectants which are commonly usedin laboratory equipment can reduce the risk of transmission of TB disease. Alcoholic compoundsare one of the common disinfectants with a broad spectrum activity towardsmicrobes,viruses, and fungus. We employed molecular docking and molecular dynamics simulation to support virtual screening and ligand-receptor complex binding observation in searching for an appropriate mycobactericidal agent.Based on the analysis of molecular docking and molecular dynamics, pentadecanol has potency as a mycobactericidal agent with PanK as itsspecific receptor. The Gibbs free energy (∆G) for the interaction of pentadecanol with PanKhas been found to be -5.5 kcal/mol. Molecular dynamics analysis at 300K and 1 atm for 5 ns showed a little change in the confirmation of the binding site, whilepentadecanolwas still being bound by its binding siteon PanK.
结核病感染是许多发展中国家的主要传染病之一;甚至在一些发达国家也有轻微的病例。结核病感染通过空气传播,当对与结核病研究有关的医疗和实验室设备使用不适当的消毒剂时,感染的可能性更大。实验室设备中常用的适当消毒剂可以减少结核病传播的风险。酒精类化合物是常用的消毒剂之一,对微生物、病毒和真菌具有广谱活性。通过分子对接和分子动力学模拟,支持虚拟筛选和配体-受体复合物结合观察,寻找合适的杀菌剂。基于分子对接和分子动力学分析,戊烷醇具有以PanK为特异性受体的抗菌活性。pentadecanol与pankl相互作用的吉布斯自由能∆G为-5.5 kcal/mol。分子动力学分析表明,在300K和1atm作用5ns时,结合位点的确认变化不大,而五戊醇仍然被其结合位点PanK结合。
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引用次数: 1
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Annales Bogorienses-Journal of Tropical General Botany
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