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Molecular docking analysis on 16 therapeutic ligands of Ocimum tenuiflorum L. (Tulasi) and their prospects in drug design for COVID-19 细辛16个治疗配体的分子对接分析及其在新冠肺炎药物设计中的应用前景
Q4 Agricultural and Biological Sciences Pub Date : 2022-07-27 DOI: 10.25081/jp.2022.v14.7842
Guruprasad Anantharam, S. Geetha, P. Santhana Pandi, N. Krithika, C. Chittibabu
The PyRx software and Discovery studio were used in the present molecular docking studies of the 16 ligands of Ocimum tenuiflorum L., selected based on their high therapeutic potentials, viz., (E)-6-hydroxy-4,6-dimethylhept-3-en-2-one, Apigenin, Bieugenol, Cirsilineol, Cirsimaritin, β-Caryophyllene epoxide, Dehydrodieugenol B, Eugenol, Ferulaldehyde, Isothymonin, Isothymusin, Linalool, Luteolin, Ocimarin, Rosmarinic acid, and Thymol. Saquinavir was used as a positive control. The binding affinities of the 16 ligands to the main proteases of COVID-19 6LU7 and 6Y2E (critical for viral replication) and their ability to arrest the virus replication were recorded. The binding affinities of the ligands to 6LU7 and 6Y2E ranged from -4.3 and -4.7 kcal/mol (for (E)-6-hydroxy-4,6-dimethylhept-3-en-2-one) to -7.6 (for Rosmarinic acid to both target proteins). While the corresponding values for the control drug Saquinavir were -7.8 and -7.6 respectively. The Rosmarinic acid, in binding with both the proteases (-7.6 and -7.6 kcal/mol) showed six conventional hydrogen bonds, one carbon hydrogen bond (ASP 153 had one conventional hydrogen bond and one carbon hydrogen bond), one Pi-alkyl bond, one Pi-Pi stacked bond, eight van der waals bonds for 6LU7 protease; it formed three conventional hydrogen bonds, two Pi-alkyl bonds, one unfavourable donor – donor bond and 14 van der waals bonds with 6Y2E protease. The control drug – Saquinavir in binding with 6LU7 protease showed 12 van der waals, one alkyl, one Pi-alkyl, one Pi-cation, one Pi-stacked and four conventional hydrogen bonds, which indicates that it has less affinity when compared with Rosmarinic acid. Similarly, the control drug on binding with 6Y2E protease exhibited ten van der waals, four Pi-alkyl, one cation and three hydrogen bonds. The results are in conformity to similar other studies, and herald a promising scope for Rosmarinic acid as lead molecule in the drug discovery for COVID-19.
PyRx软件和Discovery studio用于目前对Ocimum tenuiflorum L.的16个配体的分子对接研究,这些配体是基于它们的高治疗潜力而选择的,即(E)-6-羟基-46-二甲基庚-3-烯-2-酮、芹菜素、比尤格醇、Circilineol、Cirsimaritin、β-石竹烯环氧化物、脱氢dieugenol B、Eugenol、Ferula醛、Isothymonin、Isothmusin、芳樟醇、木犀草素、,Ocimarin、迷迭香酸和Thymol。使用沙奎那韦作为阳性对照。记录了16个配体与新冠肺炎6LU7和6Y2E的主要蛋白酶(对病毒复制至关重要)的结合亲和力及其阻止病毒复制的能力。配体与6LU7和6Y2E的结合亲和力范围为-4.3和-4.7kcal/mol(对于(E)-6-羟基-4,6-二甲基庚-3-烯-2-酮)至-7.6(对于迷迭香酸与两种靶蛋白)。而对照药物沙奎那韦的相应值分别为-7.8和-7.6。与两种蛋白酶结合的迷迭香酸(-7.6和-7.6kcal/mol)显示出六个常规氢键、一个碳氢键(ASP 153具有一个常规氢键和一个碳-氢键)、一个Pi-烷基键、一个Pi-Pi堆叠键、6LU7蛋白酶的八个范德华键;它与6Y2E蛋白酶形成了三个常规氢键、两个Pi烷基键、一个不利的供体-供体键和14个范德华键。对照药物——沙奎那韦与6LU7蛋白酶结合时显示出12个范德华、一个烷基、一个Pi烷基、一种Pi阳离子、一个π堆叠和四个常规氢键,这表明与迷迭香酸相比,它的亲和力较低。类似地,对照药物在与6Y2E蛋白酶结合时表现出十个范德华、四个Pi烷基、一个阳离子和三个氢键。该结果与其他类似研究一致,并预示着迷迭香酸作为新冠肺炎药物发现的先导分子具有广阔的前景。
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引用次数: 0
Molecular phylogeny of Annonaceae species from Binh Chau-Phuoc Buu Nature Reserve based on two chloroplast gene regions 基于两个叶绿体基因区域的平州-福布自然保护区番荔枝科物种的分子系统发育
Q4 Agricultural and Biological Sciences Pub Date : 2022-07-22 DOI: 10.25081/jp.2022.v14.7414
Ngoc Duyen Nguyen, T. N. Luu, N. Trinh, Van-Son Le, H. Van
In this study, based on molecular biology techniques, the matK and trnL-F regions of ten Annonaceae species grown in Binh Chau-Phuoc Buu Nature Reserve, Vietnam were successfully amplified and sequenced for the first time. Along with other highly homologous DNA sequences from the GenBank database, the molecular phylogeny of ten studied species was also established. By using the alignment tool of NCBI database, the percentage of identity among sequences of studied species was also presented. The study aims to partially contribute to the further understanding of the evolutionary relationships among Annonaceae species.
在本研究中,基于分子生物学技术,首次成功扩增并测序了生长在越南平州府布自然保护区的10种番荔枝科植物的matK和trnL-F区域。与GenBank数据库中的其他高度同源的DNA序列一起,还建立了10个研究物种的分子系统发育。利用NCBI数据库比对工具,给出了所研究物种序列的同一性百分比。该研究旨在为进一步了解番荔枝科物种之间的进化关系做出部分贡献。
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引用次数: 0
Facile synthesis and optimization of nickel oxide nanoparticles using Polianthes tuberosa extract and its anticancer activity 利用马铃薯提取物及其抗癌活性促进氧化镍纳米颗粒的合成和优化
Q4 Agricultural and Biological Sciences Pub Date : 2022-07-22 DOI: 10.25081/jp.2022.v14.7853
Kaveri Sundaram, Santhosh Kumar Mohanrao
NiO nanoparticle has been synthesized by a greener method using Polianthes tuberosa plant extract. The nanoparticle was characterized by UV-Visible, FT-IR, XRD and SEM instrumental techniques. The absorption band appeared at 269 nm in UV-Visible spectrum supported the formation of NiO nanoparticles. The IR spectrum analysis showed a broad band at 554 cm-1 characteristics of NiO nanoparticles. From the XRD results, the crystalline size and shape of NiO nanoparticles was determined to be 3.23 nm with a face centered cubic crystal. The NiO nanoparticles has been distributed well. From SEM results, the synthesized NiO sample has particle size between 5 and 11 nm range. The cytotoxic results showed significant activity of the synthesized NiO nanoparticles against MM2 and HeLa cells.
以菊苣植物提取物为原料,采用绿色环保的方法合成了纳米氧化镍。采用uv -可见、FT-IR、XRD和SEM等仪器技术对纳米颗粒进行了表征。紫外可见光谱在269 nm处出现吸收带,支持了NiO纳米颗粒的形成。红外光谱分析显示NiO纳米颗粒在554 cm-1处具有宽频带特征。XRD结果表明,纳米NiO的晶粒尺寸和形状为3.23 nm,为面心立方晶体。NiO纳米颗粒分布良好。SEM结果表明,合成的NiO样品的粒径在5 ~ 11nm之间。细胞毒性结果显示,合成的NiO纳米颗粒对MM2和HeLa细胞具有显著的活性。
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引用次数: 0
Expression analysis of diosgenin pathway genes and diosgenin accumulation in fenugreek sprouts after exposure to copper sulfate 胡芦巴芽经硫酸铜处理后薯蓣皂苷元途径基因的表达及积累
Q4 Agricultural and Biological Sciences Pub Date : 2022-07-08 DOI: 10.25081/jp.2022.v14.7769
Do Yeon Kwon, R. Sathasivam, Yeon-Bok Kim, H. Kim, S. Park, B. B. Park
Trigonella foenum-graecum L. is an annual herb belonging to the family Fabaceae commonly called Fenugreek. It is rich in various secondary metabolites such as alkaloids, flavonoids, phenolic compounds, and steroidal saponins. In recent years, diosgenin has much attention in the cosmetic, functional food, and pharmaceutical industries. In this study we aimed to examine the effect of different concentrations of copper sulfate (CuSO4) on growth, diosgenin biosynthetic (DB) gene expression, and diosgenin accumulation in T. foenum-graecum sprouts. Results showed that the seed germination, fresh weight, shoot length, and root length were gradually decreased with increasing the CuSO4 concentrations. In contrast, the expression level of DBGs i.e., TfSQS, TfSQLE, TfCAS, and TfSTRL were gradually upregulated with increasing the CuSO4 concentrations. Among all those tested concentrations, the expression levels of all those genes were significantly higher in 0.5 mM CuSO4 treated sprouts. The highest expression level was obtained in the TfCAS gene, which was 3.25-fold higher than the unexposed sprouts. The diosgenin content was significantly influenced in the CuSO4 exposed sprouts. The highest diosgenin content was achieved in the 5.0 mM followed by 1.0, 10.0, and 0.5 mM CuSO4 exposed concentrations, with a reduction of 41%, 39%, 36%, and 35%, respectively. From these results, it is shown that exposure of fenugreek sprout to CuSO4 is one of the suitable strategies to enhance the accumulation of diosgenin content.
胡芦巴是豆科的一种一年生草本植物,俗称胡芦巴。富含生物碱、黄酮类化合物、酚类化合物和甾体皂苷等多种次生代谢产物。近年来,薯蓣皂苷元在化妆品、功能性食品和制药工业中备受关注。本研究旨在研究不同浓度的硫酸铜(CuSO4)对胡芽生长、薯蓣皂苷元生物合成(DB)基因表达和薯蓣皂苷元积累的影响。结果表明,随着CuSO4浓度的增加,种子发芽率、鲜重、地上部长度和根系长度逐渐降低。相反,DBG(即TfSQS、TfSQLE、TfCAS和TfSTRL)的表达水平随着CuSO4浓度的增加而逐渐上调。在所有这些测试浓度中,所有这些基因的表达水平在0.5mM CuSO4处理的芽中显著更高。TfCAS基因的表达水平最高,比未暴露的芽高3.25倍。CuSO4对芽中薯蓣皂苷元含量有显著影响。在5.0mM的CuSO4暴露浓度下,薯蓣皂苷元含量最高,其次是1.0、10.0和0.5mM的CuSO4暴露浓度,分别降低了41%、39%、36%和35%。这些结果表明,胡芦巴芽暴露于CuSO4是提高薯蓣皂苷元含量积累的合适策略之一。
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引用次数: 0
Purification and partial characterization of a novel lectin from Ruta montana roots 一种新型凝集素的纯化及部分特性研究
Q4 Agricultural and Biological Sciences Pub Date : 2022-06-23 DOI: 10.25081/jp.2022.v14.7473
A. Messai, Youcef Necib
Lectins are proteins or glycoproteins, which participate in various biological processes. The purpose of this study was to purify new lectin from Ruta montana roots. Lectin of Ruta montana has been purified from roots using ultrafiltration and precipitation with ammonium sulfate followed by gel filtration chromatography whereas protein estimation was done by Bradford’s method. Within sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS–PAGE) analysis, the extract exhibited three bands and one band after purification. The molecular weight of lectin was determined by SDS–PAGE and gel filtration chromatography, which was found to be a monomeric protein of approximately 28.8 kDa. The agglutination activity of Ruta montana lectins was stable within a temperature range from 4 to 50° C for 30 min and the pH range from 4.2 to 9. This study presents a natural source of lectins that can be used in several other studies due to its different biological activities.
凝集素是参与各种生物过程的蛋白质或糖蛋白。本研究的目的是从芦花根中纯化新的凝集素。用超滤法和硫酸铵沉淀法纯化了大拿芦花的凝集素,并用凝胶过滤层析法对蛋白质进行了测定。经十二烷基硫酸钠聚丙烯酰胺凝胶电泳(SDS-PAGE)分析,提取液呈现出3个条带,纯化后呈现出1个条带。通过SDS-PAGE和凝胶过滤层析测定凝集素的分子量,发现该凝集素是一个单体蛋白,分子量约为28.8 kDa。在温度4 ~ 50℃、pH 4.2 ~ 9范围内,凝集活性稳定,凝集时间30min。本研究提出了一种天然的凝集素来源,由于其不同的生物活性,可以用于其他几项研究。
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引用次数: 0
Inflorescence appearance timing and production rate traits in wild Zoysiagrass (Zoysia spp) 野生结缕草花序、外观、时代性及产量性状
Q4 Agricultural and Biological Sciences Pub Date : 2022-05-14 DOI: 10.25081/jp.2022.v14.7276
G. Han, Jiyeong Jung, Y. Chung
Zoysiagrass (Zoysia spp.) has excellent turf quality and can be applied to various uses for personal space to public sports areas or commercial landscapes. However, it has disadvantages such as slow growth rate, cold hardiness, low seed yield, and hard to establish from seeds, which cannot be improved with agricultural practices. Therefore, breeding a new cultivar as a hybrid could be an efficient strategy to improve the Zoysiagrass cultivar. In fact, hybrid zoysiagrass shows mixed traits of both parents in morphology and heterosis in growth. However, inflorescence appearance and its rate are known to make a hybrid. Thus, the variety of inflorescence appearance timing and production rate were investigated among 549 genetic resources. As a result, only 5.38% of the variety among survived zoysiagrass after transplanting showed more than 30% inflorescence appearance within the given period. During that, some varieties showed a reduction of total inflorescence. Hence, we report the diversity of inflorescence appearance timing and production rate that could be useful for breeders and researchers breeding new Zoysiagrass cultivars.
结缕草(结缕草属)具有优良的草坪质量,可应用于个人空间、公共运动区域或商业景观的各种用途。但它具有生长速度慢、耐寒性差、种子产量低、种子成活率差等缺点,无法通过农业实践加以改良。因此,选育杂交新品种可能是对结缕草品种进行改良的有效策略。实际上,杂种结缕草在形态上和生长上表现出双亲的混合性状。然而,花序外观和它的比率是已知的杂交。以此为基础,对549个遗传资源的花序出现时间和产量的变化进行了研究。结果表明,在移栽后存活的结缕草品种中,只有5.38%的品种在一定时期内花序出现率超过30%。在此期间,一些品种表现出总花序的减少。因此,我们报道了结缕草花序出现时间和产量的多样性,可以为育种家和研究人员选育新的结缕草品种提供有用的信息。
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引用次数: 0
Chemical profiles and biological activities of essential oils of Arisaema and Homalomena species (Araceae) – A review 天南星科Arisaema和Homalomena属植物精油的化学成分和生物活性综述
Q4 Agricultural and Biological Sciences Pub Date : 2022-04-08 DOI: 10.25081/jp.2022.v14.7444
S. Dam, H. Van
In this review, the chemical compositions and bioactivities of the essential oils isolated from Arisaema and Homalomena species, two large genera belonging to the Araceae family, have been reported for the first time. Accordingly, the essential oils isolated from the plants of two genera consisted of some chemical groups, including monoterpene hydrocarbons, oxygenated monoterpenes, sesquiterpene hydrocarbons, and oxygenated sesquiterpenes, etc. In addition, the essential oils and their major compounds isolated from Arisaema and Homalomena plants possessed biological activities, including antimicrobial, insecticidal, nematicidal, antiproliferative, larvicidal and anthelmintic activities. This review mainly provides information on the Arisaema and Homalomena oils which are able to use as a guide for the collection of the species with the best chemical composition and biological activities.
本文首次报道了天南星科两大属天南星属和何首乌属植物精油的化学成分和生物活性。因此,从两属植物中分离出的精油由一些化学基团组成,包括单萜烃、含氧单萜、倍半萜烃和含氧倍半萜等。此外,从Arisaema和Homalomena植物中分离的精油及其主要化合物具有生物活性,杀虫、杀线虫、抗增殖、杀幼虫和驱虫活性。这篇综述主要提供关于Arisaema和Homalomena油的信息,这些油可以作为收集具有最佳化学成分和生物活性的物种的指南。
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引用次数: 1
Effect of silver nitrate and putrescine on in vitro shoot organogenesis of Polygonum multiflorum 硝酸银和腐胺对何首乌离体茎器官发生的影响
Q4 Agricultural and Biological Sciences Pub Date : 2022-03-31 DOI: 10.25081/jp.2022.v14.7593
W. Park, Yeon-Bok Kim, R. Sathasivam, H. Kim, S. Park
Polygonum multiflorum is a flowering plant that belongs to the family Polygonaceae and it is commonly used for medicinal and ornamental purposes. Few studies have been studied about the regeneration of this species. Therefore, we aimed to develop a suitable protocol for regeneration and subsequent growth of shoots by comparing the silver nitrate (AgNO3) (ethylene inhibitor) and the putrescine (polyamine). Internode explants were cultured on shoot regeneration media (Murashige and Skoog (MS) media containing 2 mg L-1 of 6-benzylaminopurine). To analysis, the effect of AgNO3 and putrescine on shoot regeneration and length, different concentrations (mg L-1) of AgNO3 (0, 1, 5, 7, 10, and 20) and putrescine (0, 10, 30, 50, 100, and 200) were added to the MS media. The result showed that at highest concentration (20 mg L-1) of AgNO3 treatment decrease number of shoots (NOS) (1.4 ± 0.2 mm) and shoot length (9.7 ± 1.6 mm) was observed. Putrescine considerably increased the regeneration efficiency, NOS per explant, and shoot length in all the concentrations when compared to AgNO3 treatment. Among the different concentrations, the highest NOS (2.52 ± 0.2 mm) was obtained in cultures supplemented with 30 mg L-1 putrescine, whereas the further increase in putrescine concentration reduced shoot regeneration. The longest shoots (20.5 ± 1.7 mm) were achieved in cultures supplemented with 200 mg L-1 putrescine. The findings of this study indicate that the addition of putrescine to the media could be suitable for P. multiflorum micropropagation and plant transformation.
何首乌是何首乌科的一种开花植物,常用于药用和观赏。关于该物种的再生研究很少。因此,我们旨在通过比较硝酸银(AgNO3)(乙烯抑制剂)和腐胺(多胺),为芽的再生和后续生长制定一个合适的方案。节间外植体在芽再生培养基(含有2mg L-1的6-苄基氨基嘌呤的Murashige和Skoog(MS)培养基)上培养。为了分析AgNO3和腐胺对芽再生和长度的影响,将不同浓度(mg L-1)的AgNO3(0、1、5、7、10和20)和腐胺(0、10、30、50、100和200)添加到MS培养基中。结果表明,在最高浓度(20mg L-1)的AgNO3处理下,芽数(NOS)(1.4±0.2mm)和芽长(9.7±1.6mm)减少。与AgNO3处理相比,Putrescine在所有浓度下都显著提高了再生效率、每个外植体的NOS和芽长。在不同浓度中,在添加30mg L-1腐胺的培养基中获得最高的NOS(2.52±0.2mm),而腐胺浓度的进一步增加降低了芽的再生。在添加200mg L-1腐胺的培养基中获得了最长的芽(20.5±1.7mm)。本研究结果表明,在培养基中添加腐胺可能适用于多花P.multiflorum的微繁殖和植物转化。
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引用次数: 0
Development of traditional medicinal plants on Peatland conditions in Central Kalimantan 加里曼丹中部泥炭地条件下传统药用植物的开发
Q4 Agricultural and Biological Sciences Pub Date : 2022-03-30 DOI: 10.25081/jp.2022.v14.7184
Herry Palangka Jaya, Y. Ludang, Sarwoko Mangkoedihardjo
Most of the total peatland area in Kalimantan Island and particularly in Central Kalimantan Province is suitable for agricultural development. This condition provides a great opportunity for the development of peatlands for the cultivation of traditional medicinal plants. The local society in their daily lives could not be separated from the inherent elements of tradition even though the development of science and technology is currently very fast. One of the traditional elements that are inherent at this time is the use of medicinal plants as a solution in treating various diseases. The research was conducted in Palangka Raya City, Central Kalimantan Province by conducting interviews to determine the type of selected medicinal plants and carrying out experiments for examining their ability to absorb carbon dioxide and to grow in peatland conditions. The results of the study of four types of traditional medicinal plants show that there is great potential for two types of plants, namely Semar Bags and Karamunting, whose implementation fulfills biodiversity in an agricultural land ecosystem.
加里曼丹岛,特别是中加里曼丹省的大部分泥炭地面积适合农业发展。这种条件为泥炭地的发展提供了一个巨大的机会,用于种植传统药用植物。尽管目前科学技术发展很快,但当地社会在日常生活中离不开传统的固有元素。此时固有的传统元素之一是使用药用植物作为治疗各种疾病的解决方案。这项研究是在中加里曼丹省的帕朗卡拉亚市进行的,通过采访来确定所选药用植物的类型,并进行实验来检查它们吸收二氧化碳和在泥炭地条件下生长的能力。对四种传统药用植物的研究结果表明,Semar Bags和Karamonting这两种植物具有巨大的潜力,它们的实施满足了农业土地生态系统中的生物多样性。
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引用次数: 2
Antioxidant and Phytochemical analysis of selected lichen species from Mizoram, India 印度米佐拉姆邦部分地衣的抗氧化和植物化学分析
Q4 Agricultural and Biological Sciences Pub Date : 2022-03-30 DOI: 10.25081/jp.2022.v14.7211
P. Lalremruata, R. Lalmuanpuii, V. Ralte, Zothanmawia, P. Lalthanpuii, K. Lalchhandama, R. Lalfakzuala
Lichens are an important source of biologically active substances, primarily phenols, which are well known for their antioxidant properties. The aim of the present study was to evaluated phytochemical constituents (flavonoids and phenols), and the antioxidant activity of the methanol extract of the selected lichens species viz. Usnea baileyi, Hypotrachyna cirrhata and Lobaria pulmonaria  collected from Tawi Wildlife Sanctuary, Mizoram, India. The total phenolic content and total flavonoid of the various extracts varied from 31.11 to 67.84 mg of Gallic acid equivalent per gram dry weight (GAE/g DW) and from 27.43 to 37.06 mg of Quercetin equivalent per gram dry weight (QE/g DW) respectively. DPPH free radical scavenging activity of the methanol extract of tested samples showed a concentration-dependent manner with an IC50 value ranges from 133.6 µg/ml in L. pulmonaria to 243.9 µg/ml in U. baileyi. A comparison between lichens extract and positive control (BHT) showed a strong antioxidant capacity (IC50=10.81 μg/ml) of positive control than the lichens methanolic extract. A high negative and significant negative correlation (P<0.05) was observed between total phenol content and antioxidant activity IC50 of DPPH assay. Moreover, a positively high significant correlation was also obtained between total flavonoid and phenol content (P<0.01). The present study showed that bioactive compounds present in the lichen thallus may be used as good sources of natural antioxidants and a potential candidate for curing several ailments. 
地衣是生物活性物质的重要来源,主要是酚类物质,酚类物质以其抗氧化特性而闻名。本研究的目的是评估从印度米佐拉姆Tawi野生动物保护区采集的所选地衣物种(即Usnea baileyi、Hytrachyna cirrhata和Lobaria pulonaria)的植物化学成分(黄酮类和酚类)和甲醇提取物的抗氧化活性。各种提取物的总酚含量和总黄酮含量分别为每克干重31.11至67.84mg没食子酸当量(GAE/g DW)和每克干重量27.43至37.06mg槲皮素当量(QE/g DW)。受试样品甲醇提取物的DPPH自由基清除活性呈浓度依赖性,L中的IC50值范围为133.6µg/ml。肺结核杆菌中243.9µg/ml。贝利。地衣提取物与阳性对照(BHT)的比较显示,阳性对照的抗氧化能力强于地衣甲醇提取物(IC50=10.81μg/ml)。DPPH法总酚含量与抗氧化活性IC50呈高度负相关(P<0.05)。此外,总黄酮和苯酚含量之间也呈正相关(P<0.01)。本研究表明,地衣铊中存在的生物活性化合物可能是天然抗氧化剂的良好来源,也是治疗多种疾病的潜在候选者。
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引用次数: 1
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Journal of Phytology
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