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Molecular Phylogenetic Analysis of Nemoura flexuosa Aubert, 1949 Based on Cytochrome Oxidase C Subunit-I Gene from Türkiye 基于细胞色素氧化酶C亚基- i基因的1949年弯叶线虫分子系统发育分析
Q4 Agricultural and Biological Sciences Pub Date : 2023-01-19 DOI: 10.4194/ga565
Famil Yusufoglu, F. Uçkan
Plecoptera species are valuable both as freshwater indicators and as key role in the food chain of river ecosystems. Moreover, they constitute an order with a high speciation capacity. Therefore, identification at the species level by morphological analysis leads to reliability problems. Studies on the phylogeny of Nemoura flexuosa which belongs to this order are scarce in the literature. Samples were collected from Kocaeli-Türkiye and then morphological and phylogenetic descriptions of the specimens were made. The Cytochrome Oxidase C Subunit-I gene region in mitochondrial DNA was amplified and sequenced. Molecular analyses revealed that the samples belong to the N. flexuosa species. Phylogenetic analyses were carried out by comparing the gene sequences of N. flexuosa haplotypes in Europe with gene sequences of the same basepair length and with the gene sequence of Amphinemura borealis which was used as an outgroup. The two phylogenetic trees were consistent and the collected specimens were evolutionarily closer to the OK316196.1, OK316261.1, OK316397.1, MZ608304.1, KY261370.1 and JX905853.1 haplotype. The presence of N. flexuosa in Kocaeli and the phylogenetic status of the Türkiye haplotype were reported. Clarifying the phylogenetic status of ecologically important species provides basic information for biosecurity studies for possible future conservation and control programs.
翅目物种既是淡水指标,也是河流生态系统食物链中的关键角色。此外,它们构成了一个具有高度物种形成能力的目。因此,在物种水平上通过形态分析进行鉴定会导致可靠性问题。属于这一目的弯曲线虫的系统发育研究在文献中很少。采集了kocaeli - trkiye的标本,并对标本进行了形态和系统发育描述。对线粒体DNA细胞色素氧化酶C亚基- 1基因区域进行扩增和测序。分子分析结果表明,这些样品属于弯曲芽孢杆菌属。通过将欧洲弯尾草单倍型的基因序列与相同碱基对长度的基因序列以及与作为外群的北方两栖的基因序列进行比较,进行了系统发育分析。两种系统发育树一致,所采集标本在进化上更接近于OK316196.1、OK316261.1、OK316397.1、MZ608304.1、KY261370.1和JX905853.1单倍型。报道了在科卡埃利地区存在的弯曲单倍体及其 rkiye单倍型的系统发育状况。阐明重要生态物种的系统发育状况,为今后的生物安全研究提供基础信息。
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引用次数: 0
First Identification DNA Barcoding of Bronze Featherback Fish, Notopterus notopterus (Pallas, 1769) (Osteoglossiformes: Notopteridae), in Brantas River, East Java, Indonesia 印度尼西亚东爪哇布兰塔斯河青铜羽背鱼,Notopterus Notopterus (Pallas, 1769)(骨舌目:Notopteridae)首次鉴定DNA条形码
Q4 Agricultural and Biological Sciences Pub Date : 2023-01-03 DOI: 10.4194/ga549
Amatul Firdausy Khansa, Hutama Satria Farizky, M. B. Santanumurti, M. Jamal, Lalu M Iqbal Sani, H. Madduppa, P. D. Wulansari
Bronze featherback fish Notopterus notopterus is a family of notopteridae native to river drainage in South and Southeast Asia, which are distributed in India, Pakistan, Bangladesh, Malaysia, Myanmar, Laos, Cambodia, Vietnam, Thailand, and Indonesia. This study aims to identify the molecular phylogenetic of Notopterus notopterus in Java, Indonesia based on the Cytochrome Oxidase subunit I (COI) gene. This specimen from the brantas river has 680 base pairs with 99.84% identity value for Notopterus notopterus. This is the first time molecular phylogenetic reported of bronze featherback fish in Brantas River, Indonesia.
铜羽鱼Notopterus Notopterus Notopterus是一科notopteridae原产于南亚和东南亚的河流流域,分布在印度、巴基斯坦、孟加拉国、马来西亚、缅甸、老挝、柬埔寨、越南、泰国和印度尼西亚。本研究旨在基于细胞色素氧化酶亚基I (COI)基因对印度尼西亚爪哇Notopterus Notopterus进行分子系统发育鉴定。该标本来自布兰塔斯河,共有680个碱基对,对Notopterus Notopterus的识别值为99.84%。这是首次报道的印度尼西亚布兰塔斯河青铜羽背鱼的分子系统发育。
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引用次数: 1
In Silico Structural Analysis, Classification, and Functional Annotation of an Uncharacterized Protein from an Aquatic Fungus Lindgomyces ingoldianus 水生真菌lingdgomyces ingoldianus的结构分析、分类和功能注释
Q4 Agricultural and Biological Sciences Pub Date : 2022-12-06 DOI: 10.4194/ga527
Jayzon G. Bitacura, Mudjekeewis D. Santos
An uncharacterized protein from Lindgomyces ingoldianus was initially annotated to contain various domains with promising biotechnological applications. Thus, this study was conducted to determine the structural characteristics, classification, and potential function of this protein through in silico methods. Results revealed that this protein has a neutral charge and is unstable and non-polar. It is predicted to have a signal peptide, glycoside hydrolase family 114 (GH114) domain, low complexity region, and fungal type cellulose-binding domain (fCBD) or type 1 carbohydrate-binding module (CBM1) region. Structural characterization and phylogenetic analysis revealed that this protein is an endo-α-1,4-polygalactosaminidase enzyme. This protein was also predicted to contain 36 active sites and is extracellularly secreted. Molecular docking analysis showed that it could bind galactosaminogalactan (GAG), a key virulence factor for Aspergillus fumigatus chronic infections. The binding of this protein to GAG was much better than Ega3, which could be attributed to the presence of the fCBD region that is unique to this protein. It is hypothesized that the fCBD domain helps in carbohydrate recognition and holds them in place for maximum catalysis in the GH114 domain. Finally, this protein is found to be related to its orthologue from the plant pathogenic fungus Zopfia rhizophila.
从lingdgomyces ingoldianus中提取的一种未被鉴定的蛋白最初被标注为含有多种具有生物技术应用前景的结构域。因此,本研究通过计算机方法确定该蛋白的结构特征、分类和潜在功能。结果表明,该蛋白具有中性电荷,不稳定,非极性。预计它具有信号肽、糖苷水解酶家族114 (GH114)结构域、低复杂性区域和真菌型纤维素结合结构域(fCBD)或1型碳水化合物结合模块(CBM1)区域。结构表征和系统发育分析表明,该蛋白为内切-α-1,4-聚半乳糖胺酶。该蛋白也被预测含有36个活性位点,并在细胞外分泌。分子对接分析表明,它可以结合烟曲霉慢性感染的关键毒力因子半乳糖胺半乳糖酸(GAG)。该蛋白与GAG的结合要比Ega3好得多,这可能是由于该蛋白特有的fCBD区域的存在。据推测,fCBD结构域有助于碳水化合物的识别,并使它们在GH114结构域中发挥最大的催化作用。最后,该蛋白被发现与植物病原真菌Zopfia rhizophila的同源物有关。
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引用次数: 0
Isolation and Identification of Tersakan Stream (Amasya, Suluova TÜRKİYE) Cyanobacteria and Investigation of the Presence of the Microcystin-LR Tersakan Stream(Amasya,Suluova TÜRKïYE)蓝藻的分离鉴定和微囊藻毒素LR的存在
Q4 Agricultural and Biological Sciences Pub Date : 2022-12-05 DOI: 10.4194/ga538
E. Çelikoğlu, Meral Yilmaz Cankilic, Onder Idil
Cyanobacteria are a concern worldwide due to their blooms and the toxins they produce. The aim of this study is to reveal the cyanobacterial diversity of Tersakan Stream and toxin analysis. For these purpose, water samples were taken from Tersakan Stream in 2018 and cyanobacterial diversity was determined by culture-dependent and independent methods. PCR amplification of microcystin genes (McyB and McyE) and Microcystin-LR (L:Leucine, R: Arginine) (MC-LR) analysis in water sample was performed. While 10 different Cyanobacteria were identified by light microscopy examination and 16S rRNA + ITS sequence, less diversity was revealed by culture-independent methods. Sequences of the isolates were associated with Pseudanabaena lonchoides, Leptolyngbya sp, Toxifilum sp, Cylindrospermum moravicum, Nostoc sp, Oscillatoria sp, Synechocystis sp, Synechococcus sp, Cyanobacterium aponinum and Cyanobium sp. Culture-independent sequences were associated with Microcytis sp, Nostoc sp, Cyanobium sp, Dolichospermum sp, Anabaena sp, Leptolyngbya sp and Uncultured cyanobacterium. Microcystin analysis was performed by both molecular and analytical methods. PCR results of McyB and McyE genes supported the HPLC-DAD analysis result. 0.467 μg L-1 microcystin LR was detected in Tersakan Stream by HPLC-DAD analysis. Although the microcystin concentration is low, Tersakan Stream is an important area to be monitored with its eutrophic character and cyanobacterial diversity.
蓝藻由于其大量繁殖及其产生的毒素而引起全世界的关注。本研究的目的是揭示Tersakan溪的蓝藻多样性和毒素分析。为此,2018年从Tersakan溪采集了水样,并通过培养依赖性和独立性方法测定了蓝藻多样性。对水样中的微囊藻毒素基因(McyB和McyE)和微囊藻毒素LR(L:Leucine,R:Arginine)(MC-LR)进行PCR扩增分析。虽然通过光学显微镜检查和16S rRNA+ITS序列鉴定了10种不同的蓝细菌,但通过非培养方法发现的多样性较小。分离株的序列与Pseudanabaena lonchoides、Leptolyngbya sp、Toxifilum sp、Cylindrospermum moravicum、Nostoc sp、Oscillania sp、Synechocystis sp、Syn回声球菌sp、aponinum蓝细菌和蓝藻sp.相关。培养物独立序列与Microcytis sp、Nostocs sp、蓝藻sp,钩端蛋白酶和未培养的蓝细菌。微囊藻毒素分析通过分子和分析方法进行。McyB和McyE基因的PCR结果支持HPLC-DAD分析结果。采用HPLC-DAD分析法在Tersakan Stream中检测到0.467μg L-1微囊藻毒素LR。尽管微囊藻毒素浓度较低,但Tersakan溪以其富营养化特征和蓝藻多样性是一个重要的监测区域。
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引用次数: 0
The Effect of Benzo[a]pyrene on Xenobiotic Metabolizing Cytochrome P4501A (CYP1A) Expression in Spotted Scat, Scatophagus argus (Linnaeus, 1766) 苯并[a]芘对斑点刀疤外源代谢细胞色素P4501A(CYP1A)表达的影响(Linnaeus,1766)
Q4 Agricultural and Biological Sciences Pub Date : 2022-10-06 DOI: 10.4194/ga496
A. Shadi, A. Ghasemi
Low molecular weight Polycyclic Aromatic Hydrocarbons (PAHs) are widely concerned due to their significant health risks such as carcinogenicity, reproductive- and endocrine-disrupting effects, immunotoxicity and neurotoxicity on human and marine animals. The induction pattern of xenobiotic metabolizing cytochrome P4501A (CYP1A1) gene was studied on 150 spotted scat Scatophagus argus (weight 32±3 g) captured from Northern Persian Gulf and exposed to 0, 5, 10, 15, 20 mg kg-1 of benzo[a]pyrene in 100L aquarium. The induction of CYP1A1 was quantified using reverse-transcription real-time PCR from treated fish liver samples. The results revealed that the expression of CYP1A1 gene in S. argus liver is time-dependent and directly correlated to the concentration of B[a] P, therefore the study provides the basis for further use of CYP1A1 of this commercially ad ecologically important species as a biomarker.
低分子量多环芳烃(PAHs)因其对人类和海洋动物的致癌性、生殖和内分泌干扰作用、免疫毒性和神经毒性等重大健康风险而受到广泛关注。在100L水族箱中,用0、5、10、15、20mg kg~(-1)苯并[a]芘对150只从波斯湾北部捕获的斑尾乌鱼(体重32±3g)进行外源代谢细胞色素P4501A(CYP1A1)基因的诱导模式研究。CYP1A1的诱导是使用逆转录实时PCR从处理过的鱼肝样品中定量的。结果表明,CYP1A1基因在乌鸡肝脏中的表达具有时间依赖性,并与B[a]P浓度直接相关,因此该研究为进一步使用该商业和生态重要物种的CYP1A1作为生物标志物提供了基础。
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引用次数: 0
Molecular Diversity of Far-Eastern Trematodes of the Genus Crepidsotomum (Allocreadiidae) by Means of Nuclear 28S rRNA and Mitochondrial COI Gene Sequences 利用核28S rRNA和线粒体COI基因序列研究灰蝶属远东银耳的分子多样性
Q4 Agricultural and Biological Sciences Pub Date : 2022-08-04 DOI: 10.4194/ga510
D. Atopkin
The ribosomal 28S rRNA and mitochondrial cytochrome oxidase subunit I (COI) gene fragments variation of several Crepidostomum species, collected from different fish species in Japan and south of Russian Far East, was estimated. On the basis of these data, taxonomical and population genetic structure conclusions for these trematodes were studied. Results of the analysis of the COI gene-based median-joining network indicate the presence of at least five groups of haplotypes that can be distinguished on the basis of definitive host-specificity. Genetic differentiation between these groups has been estimated. Occurrence of C. metoecus and C. farionis and the presence of at least one new Crepidostomum species in Japanese parasite fauna have been confirmed. Ribosomal 28S rDNA-based median-joining analysis indicates low diversity of several Crepidostomum species, reported in latest studies. Critical comments about the evidence of validity of the genus Stephanophiala and species Crepidostomum nemachilus were provided.
对从日本和俄罗斯远东南部不同鱼类中采集的几种Crepidotomum的核糖体28S rRNA和线粒体细胞色素氧化酶亚基I(COI)基因片段的变异进行了估计。在此基础上,对这些吸虫的分类和种群遗传结构进行了研究。基于COI基因的中位数连接网络的分析结果表明存在至少五组单倍型,这些单倍型可以基于明确的宿主特异性进行区分。已经估计了这些群体之间的遗传分化。已证实在日本寄生虫动物群中出现了C.metoecus和C.faronis,并存在至少一种新的Crepidotomum物种。最新研究报告称,基于核糖体28S rDNA的中位数连接分析表明,几种Crepidostomum物种的多样性较低。对Stephanophiala属和Crepidstomum nemachilus种的有效性证据提出了批评意见。
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引用次数: 0
Heat-shock Protein 70: Sequence and Expression Analysis in African Catfish Clarias gariepinus after Bacterial Infection and Stress Exposures 细菌感染和应激暴露后非洲鲶鱼热休克蛋白70的序列和表达分析
Q4 Agricultural and Biological Sciences Pub Date : 2022-06-13 DOI: 10.4194/ga509
H. Nasrullah, Likhawan Layinatuzzain, Dinar Tri Soelistiyowati, W. Widanarni, A. Alimuddin
Heat-shock protein 70 (HSP70) is a member of the Heat-shock protein family that plays an important role in cellular homeostasis against various stressors in fish. This research aimed to identify the full length of cDNA sequence HSP70 in African catfish C. gariepinus and assessed its mRNA expression under various tissues and stress conditions. The cDNA was cloned and amplified using the polymerase chain reaction (PCR) followed by bi-directional sequencing. The mRNA expression was quantified using the real-time PCR (qPCR) method. A full-length ORF of C. gariepinus HSP70 cDNA was 1932 bp long, encoded 643 amino acids. Three signature sequences of the HSP70 family were detected in the predicted amino acid sequence. The C. gariepinus HSP70 showed the highest similarity in nucleotide and amino acid sequence (>90%) to HSP70 from other Siluriformes catfish species. The HSP70 mRNA was expressed in all tested tissues, with the highest expression found in the liver and spleen, followed by the intestine, heart, head-kidney, and gill. The C. gariepinus HSP70 expression was significantly induced generally after 6 hours of bacterial infection, transportation, heat shock, and high nitrite exposure. The results indicated that the HSP70 gene could serve as an early stress biomarker in C. gariepinus
热休克蛋白70 (HSP70)是热休克蛋白家族的一员,在鱼类细胞对抗各种应激源的稳态中起重要作用。本研究旨在鉴定非洲鲶鱼(C. gariepinus) HSP70 cDNA序列的全长,并评估其mRNA在不同组织和应激条件下的表达情况。利用聚合酶链反应(PCR)对cDNA进行克隆和扩增,并进行双向测序。采用实时荧光定量PCR (real-time PCR, qPCR)方法测定mRNA表达量。gariepinus HSP70 cDNA全长ORF长1932 bp,编码643个氨基酸。在预测的氨基酸序列中检测到HSP70家族的3个特征序列。C. gariepinus HSP70在核苷酸和氨基酸序列上与其他志龙形目鲶鱼的HSP70相似性最高(bbb90 %)。HSP70 mRNA在所有组织中均有表达,肝脏和脾脏中表达量最高,其次是肠道、心脏、头肾和鳃。经细菌感染、运输、热休克和高亚硝酸盐暴露6 h后,一般显著诱导鸡链球菌HSP70表达。结果表明,HSP70基因可作为加里滨鸡的早期应激生物标志物
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引用次数: 0
Analysis of Genetic Diversity in Wild and Domesticated Stocks of the Tropical Abalone Haliotis asinina by Microsatellite Polymorphism 应用微卫星多态性分析热带鲍野生和驯化种群的遗传多样性
Q4 Agricultural and Biological Sciences Pub Date : 2022-06-02 DOI: 10.4194/ga501
P. Praipue, S. Klinbunga, Sirikan Prasertlux, Sirithorn Janpoom, Puttawan Rongmung, Ornchuda Ratdee, Wanwipa Ittarat, Phimsucha Boonphimpapha, P. Jarayabhand, B. Khamnamtong
The basic information on genetic diversity of wild and hatchery-propagated stocks of tropical abalone, Haliotis asinina is important for the construction of a breeding scheme leading to the sustainable culturing activity of this species. In this study, 2,876 expressed sequence tags (ESTs) were in silico analyzed and 178 EST sequences contained microsatellite motifs. Four loci (DW455, DW503, PHe177, and PT102) of type I and two loci (Haμ9 and Haμ10) of type II microsatellites were applied for genetic diversity studies. The mean number of alleles per locus and observed heterogeneity in wild populations were 4.167 and 0.483, and 4.833 and 0.528 for CAME (east coast) and TRGW (west coast) while those of hatchery-propagated samples were 3.000 and 0.708, 4.500 and 0.479, 5.167 and 0.524, and 6.333 and 0.527 for PHIH (2nd generation, G2; Philippines), SAMH (G1), SMaRT-TRGH (G8) and SMaRT-SICH (G8), respectively. The numbers of alleles, observed heterozygosity and effective population sizes suggested no severe reduction of genetic diversity in our breeding program of H. asinina. However, reduced Ne was observed in the cultured stocks from the Philippines (PHIH). FST-statistics and the exact test between pairs of samples revealed significant genetic differences between all pairwise comparisons of samples in this study.
关于野生和孵化繁殖的热带鲍鱼种群遗传多样性的基本信息对于构建该物种可持续培养活动的育种方案至关重要。在本研究中,对2876个表达序列标签(EST)进行了计算机分析,178个EST序列包含微卫星基序。应用四个I型微卫星基因座(DW455、DW503、PHe177和PT102)和两个II型微卫星的基因座(Haμ9和Haμ10)进行遗传多样性研究。CAME(东海岸)和TRGW(西海岸)的每个基因座的平均等位基因数和野生种群中观察到的异质性分别为4.167和0.483,4.833和0.528,而PHIH(第二代,G2;菲律宾)、SAMH(G1)、SMaRT TRGH(G8)和SMaRT SICH(G8)的孵化繁殖样本的等位基因平均数分别为3.000和0.708,4.500和0.479,5.167和0.524,6.333和0.527。等位基因的数量、观察到的杂合性和有效种群规模表明,在我们的H.asinina育种计划中,遗传多样性没有严重降低。然而,在来自菲律宾(PHIH)的培养物中观察到Ne减少。FST统计数据和成对样本之间的精确检验揭示了本研究中所有成对样本比较之间的显著遗传差异。
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引用次数: 0
Isolation and Expression Analysis of cAMP-Dependent Protein Kinase and Adenylyl Cyclase-Associated Protein 1-like cDNAs in the Giant Tiger Shrimp Penaeus monodon 对虾camp依赖性蛋白激酶和腺苷酸环化酶相关蛋白1样cdna的分离与表达分析
Q4 Agricultural and Biological Sciences Pub Date : 2022-03-24 DOI: 10.4194/ga480
S. Klinbunga, Kanchana Sittikankaew, Sirikan Prasertlux, Sirithorn Janpoom, Puttawan Rongmung, Wanwipa Ittarat, Phimsucha Boonpimpapha, B. Khamnamtong
Characterization of genes exhibiting differential expression profiles during ovarian development is important for understanding reproductive maturation of the giant tiger shrimp (Penaeus monodon). Here, the partial cDNAs of P. monodon cAMP-dependent protein kinase, catalytic subunit 1 (PmPkaC1) and adenylyl cyclase-associated protein 1-like (PmCap1-l) were studied. They were more preferentially expressed in ovaries than testes of cultured juveniles and wild broodstock. PmPkaC1 mRNA in ovaries of non-ablated broodstock was significantly increased during vitellogenesis (P<0.05). However, unilateral eyestalk ablation (the removal of one eyestalk) resulted in a significant reduction of its expression (P<0.05). PmCap1-l was not differentially expressed during ovarian development in wild non-ablated broodstock. It was up-regulated in mature ovaries following eyestalk ablation (P<0.05). The PmCap1-l transcript in each ovarian stage of the former was significantly lower than that of the latter (P<0.05). The levels of ovarian PmPkaC1 and vitellogenin 1 (PmVtg1) treated in vitro with 17-20β-DHP (0.1, 1.0 and 10.0 μg/ml for 24 h) was not significantly different from the control (P>0.05). Nevertheless, the expression of PmCap1-l was increased in ovaries treated with 0.1 and 10 μg/ml 17-20β-DHP at 24 hours post treatment (hpt, P<0.05).
表征卵巢发育过程中差异表达谱的基因对了解虎对虾(Penaeus monodon)的生殖成熟具有重要意义。本文研究了单孢霉camp依赖性蛋白激酶、催化亚基1 (PmPkaC1)和腺苷酸环化酶相关蛋白1样(pmcap1 - 1)的部分cdna。它们在培养幼鱼和野生亲鱼的卵巢中比在睾丸中更优先表达。未消融的亲鱼卵巢PmPkaC1 mRNA在卵黄形成过程中显著升高(P0.05)。然而,在处理后24小时,0.1和10 μg/ml 17-20β-DHP处理卵巢pmcap1 - 1的表达增加(hpt, P<0.05)。
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引用次数: 0
An In-silico Approach for Identifying Phytochemical Inhibitors Against Nervous Necrosis Virus (NNV) in Asian Sea Bass by Targeting Capsid Protein 以衣壳蛋白为靶点鉴定亚洲鲈鱼神经坏死病毒(NNV)植物化学抑制剂的计算机方法
Q4 Agricultural and Biological Sciences Pub Date : 2022-03-15 DOI: 10.4194/ga487
Sk Injamamul Islam, Moslema Jahan Mou, Saloa Sanjida, Sarower Mahfuj
Nervous necrosis virus (NNV) is a devastating infectious pathogen for fish species with 100% mortality. To date, no specific drugs or vaccines have been developed that can prevent infections in aquaculture caused by NNV. It has been found that the NNV utilizes capsid protein to enter into the host cell in Asian sea bass and cause disease. In this study, we evaluated the inhibitory potential of Allium sativum compounds that have been reported to show antiviral activity against various pathogens. The capsid protein was modeled and the binding affinity of all the compounds was calculated with the docking approach and top 2 (PubChem CID: 122130381 and CID 12303662) inhibitory compounds were selected for further ADMET properties and DFT analysis. Both the geometry optimization and redocking of the two inhibitory compounds (PubChem CID: 122130381 and CID 12303662) showed a strong binding affinity of -8.2 and -8.0 kcal/mol, respectively with the capsid protein. The molecular dynamic simulation approach further validated the capsid protein – CID: 122130381 and capsid protein- CID 12303662 complex stability. In conclusion, this study deduces that these Allium sativum phytochemicals might act as significant inhibitors of the NNV in sea bass, which can be further validated experimentally.
神经坏死病毒(NNV)是一种对鱼类具有毁灭性传染性的病原体,死亡率为100%。到目前为止,还没有开发出能够预防NNV引起的水产养殖感染的特效药或疫苗。研究发现,NNV利用衣壳蛋白进入亚洲鲈鱼的宿主细胞并致病。在这项研究中,我们评估了大蒜化合物的抑制潜力,据报道,这些化合物对各种病原体具有抗病毒活性。对衣壳蛋白进行建模,并用对接方法计算所有化合物的结合亲和力,并选择top 2(PubChem CID:122130381和CID 12303662)抑制性化合物用于进一步的ADMET性质和DFT分析。两种抑制性化合物(PubChem CID:122130381和CID 12303662)的几何结构优化和重编码均显示出与衣壳蛋白的强结合亲和力,分别为-8.2和-8.0 kcal/mol。分子动力学模拟方法进一步验证了衣壳蛋白-CID:122130381和衣壳蛋白-CID 12303662复合物的稳定性。总之,本研究推断这些大葱植物化学物质可能是鲈鱼NNV的重要抑制剂,这一点可以通过实验进一步验证。
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引用次数: 4
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Genetics of Aquatic Organisms
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