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Silico characterization
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In this research paper we report the detailed synthesis, spectral (1H-NMR, FT-IR, and UV-Vis), crystal structure determination, DFT studies, and molecular modeling of 4-amino-3-mercapto-5-methyl-1,2,4-triazole (L2) Schiff base ligand and its complexes of cadmium as suitable bioactive agents for the treatment of malaria. From the spectroscopic results, the synthesized Schiff base has potentialtridentate coordination with themetal ion via hydroxy naphthalinic-O, azomethine-N and sulphur atom of the thione group.
17p
dianmotminh02
03-05-2024
2
1
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Cancer is the most destructive and fatal disease, representing an urgent medical challenge to the world. The discovery of a new anticancer candidate may help reduce or eliminate this alarming disease to a greater extent. On similar lines, in silico research was carried out on novel naphthylidene isoxazolidinedione derivatives that were logically conceived, synthesized, purified, and structurally characterized. In vitro biological evaluation revealed the most active compound 4d with an inhibitory concentration of 42.87 μM against K562 and 47.42 μM on A549 cells.
10p
dianmotminh02
03-05-2024
4
1
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Ebook "Circular RNAs: Methods and protocols" provides established approaches for identifying, characterizing, and manipulating circRNAs in vitro, in vivo, and in silico. Chapters highlight the breakthroughs and the challenges in this new field of research. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls.
223p
lucchinguyen
28-12-2023
3
2
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In this study, at least 24 RNA-Seq datasets related to blast disease infection in rice plants have been obtained from databases. Among them, four microarray datasets obtained from blast-infected leaf samples in Indica rice varieties, including GSE122258, GSE126961, GSE78266 and GSE39635 were selected for further in silico analysis.
9p
vikissinger
21-12-2023
4
1
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Drought is the most disastrous abiotic stress that severely affects agricultural productivity worldwide. Understanding the biological basis of drought-regulated traits, requires identification and an in-depth characterization of genetic determinants using model organisms and high-throughput technologies.
24p
vinarcissa
21-03-2023
3
1
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We present a novel approach, the Local Edge Machine, for the inference of regulatory interactions directly from time-series gene expression data. We demonstrate its performance, robustness, and scalability on in silico datasets with varying behaviors, sizes, and degrees of complexity. Moreover, we demonstrate its ability to incorporate biological prior information and make informative predictions on a well-characterized in vivo system using data from budding yeast that have been synchronized in the cell cycle.
13p
viaristotle
29-01-2022
9
0
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The group of stress-responsive elements (MYBCORE, ACGTATATERD1, CURECORECR, WRKY-box, WBOXATNPR1, GT1) is very characteristic for promoters of genes encoding pathogenesis-related proteins, including β-1,3-glucanases. These hydrolases may play a role not only in reaction to biotic and abiotic stress but also during the digestive processes in carnivorous species.
4p
mudbound
10-12-2021
6
1
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Since benzo [b] thiophene scaffold is one of the privileged structures in drug discovery as this core exhibitsactivities for different biological problems, in this study bis (benzo[ b ]thiophene-2-yl) alkyl methanimine derivatives (1-9) were synthesized by reacting benzo[b]thiophene-2-carbaldehyde with diamines. All newly compounds were characterized by IR, 1H NMR and 13C NMR spectroscopic methods.
26p
tudichquannguyet
29-11-2021
6
1
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The reaction of 3,4-dichlorophenyl-1,3,4-oxadiazole-2(3H)-thione with piperidine derivatives via Mannich reaction was used to generate eleven novel compounds in moderate to good yields. Synthesized molecules were characterized according to their structure with 1 H NMR, 13C NMR and FT-IR spectral foundations, which were compatible with literature informations. Antimicrobial activity and cytotoxicity studies were done by disc diffusion and NCI-60 sulphordamine B assay methods.
12p
tudichquannguyet
29-11-2021
7
0
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To live such complex lifestyles, they have evolved efficient signal transduction systems with numerous one- and two-component regulatory system along with a large array of chemosensory systems to perceive and integrate both external and internal cues.
12p
vitzuyu2711
29-09-2021
10
1
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Genome-wide data are invaluable to characterize differentiation and adaptation of natural populations. Reduced representation sequencing (RRS) subsamples a genome repeatedly across many individuals. However, RRS requires careful optimization and fine-tuning to deliver high marker density while being cost-efficient.
20p
vitzuyu2711
29-09-2021
7
2
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The leishmaniasis are parasitic diseases caused by protozoans of the genus Leishmania, highly divergent eukaryotes, characterized by unique biological features. To survive in both the mammalian hosts and insect vectors, these pathogens make use of a number of mechanisms, many of which are associated with parasite specific proteases.
17p
vigiselle2711
30-08-2021
12
1
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Mitogen Activated Protein Kinase (MAPK) cascade is a fundamental pathway in organisms for signal transduction. Though it is well characterized in various plants, there is no systematic study of this cascade in tea.
17p
vijeeni2711
30-06-2021
10
1
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Mycobacterium abscessus (MAB) is a widely disseminated pathogenic non-tuberculous mycobacterium (NTM). Like with the M. tuberculosis complex (MTBC), excreted / secreted (ES) proteins play an essential role for its virulence and survival inside the host.
13p
vilichoo2711
23-06-2021
3
1
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Somatic embryogenesis (SE) is the process in which somatic embryos develop from somatic tissue in vitro on medium in most cases supplemented with growth regulators. Knowledge of genes involved in regulation of initiation and of development of somatic embryos is crucial for application of SE as an efficient tool to enable genetic improvement across genotypes by clonal propagation.
16p
vilichoo2711
23-06-2021
8
1
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This study was conducted to mine such data, analyse it and make it easily available to future researchers, keeping in mind the importance of zebrafish model for genetic research.
9p
cothumenhmong9
18-01-2021
12
2
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Keeping in view above considerations, the present study was framed for isolation, biochemical characterization and molecular identification of iron nanoparticles synthesizing bacteria by use of 16S rRNA technology to determine evolutionary rates of different bacterial isolates and close synteny between them by using various bioinformatics tools.
12p
angicungduoc8
07-11-2020
26
3
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Bacterial tyrosine-kinases (BY-kinases), which play an important role in numerous cellular processes, are characterized as a separate class of enzymes and share no structural similarity with their eukaryotic counterparts. However, in silico methods for predicting BY-kinases have not been developed yet.
15p
vioklahoma2711
19-11-2020
10
0
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With the development of Next Generation Sequencing technologies, the number of predicted proteins from entire (meta-) genomes has risen exponentially. While for some of these sequences protein functions can be inferred from homology, an experimental characterization is still a requirement for the determination of protein function.
11p
viflorida2711
30-10-2020
14
2
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Prostate Cancer is one of the leading causes of malignancy among men and is a complex multifaceted and biologically heterogeneous disease. The in silico Microarray data analysis produces the gene expression profiling of Prostate Cancer and it has also been shown to provide the molecular phenotyping that determines the characterizing of various stages of the cancer.
9p
nguathienthan8
20-10-2020
14
2
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