1,720,957 research outputs found
A comprehensive computational analysis of NR2F2/6 receptors for drug repurposing
No full textNuclear Receptors (ORFs) are a small family of transcription factors (15 members)
playing a crucial role in regulating various physiological and developmental processes.
Within this superfamily, NR2Fs, also known as Chicken Ovalbumin Upstream Promoter
Transcription Factor (COUP-TF), is a family of nuclear orphan receptors, due to the lack of
endogenous ligands. The NR2Fs are composed of three members: NR2F1 (COUP-TFI, EAR-
3), NR2F2 (COUP-TFII, ARP-1) and NR2F6 (COUP-TFIII, EAR-2). Due to the pivotal functions
of NR2Fs in cell growth, they are regarded as promising candidates for the development
of novel therapeutic targets in cancer treatment [1]. In the context of the PNRR project,
"HEAL ITALIA", a comprehensive computational analysis was conducted on the X-ray
crystal structures of the human ligand binding domain of NR2F2 (PDB ID: 3CJW) and the
NR2F6 (PDB ID: 8C5L). To date, only compound CIA1 has been identified as an inhibitor of
NR2F2 in prostate cancer cell lines (IC50 1.2-7.6 μM). To this aim, the ligand binding
domain was mapped identifying potential binding sites, designated as site 1 and site 2.
Followed by classic docking with CIA1, molecular dynamics (MD), Binding Pose
Metadynamics (BPMD), and Molecular Mechanics-Generalized Born Surface Area
continuum solvation (MM-GBSA) were conducted to assess the stability of the complexes
NR2F2-CIA in the two sites. For NR2F6 no inhibitor has been identified in the literature.
Potential hotspot binding sites were identified and their potential for drug use was
predicted. Subsequently, the identified binding sites for NR2F2 and NR2F6 were then
used to perform a virtual screening protocol involving pharmacophore models and
docking studies on extensive libraries, such as Drugbank, FDA and commercial libraries
for drug repurposing
Design of small molecules and identification of putative anticancer therapeutic targets via in silico tools
No full textComputational approaches are a key component in drug design and discovery workflows. Several computational tools have been implemented in the last years to help researchers save time and reduce costs. They can be used to identify a therapeutic target, understand ligand-protein and protein-protein interactions, and identify putative binding sites, even though their principal use remains the identification of hit compounds through ligand-based and structure-based virtual screening and optimizing lead compounds [1]. Here, in the context of the PNRR project "HEAL ITALIA", we present the computational workflows to identify new potential anticancer compounds. Ligand-based approaches will be discussed guiding our research for new active compounds together with advanced docking approaches, biased and unbiased molecular dynamics simulations. In vitro test confirmed the results of the computational approaches and paved the way for the hits optimizatio
Going Beyond Counting First Authors in Author Co-citation Analysis
Full text linkThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
Variations on the Author
Full text link“Variations on the Author” discusses two of Eduardo Coutinho’s recent films (Um Dia na Vida, from 2010, and Últimas Conversas, posthumously released in 2015) and their contribution to the general question of documentary authorship. The director’s filmography is characterized by a consistent yet self-effacing form of authorial self-inscription: Coutinho often features as an interviewer that rather than express opinions propels discourses; an interviewer that is good at listening. This mode of self-inscription characterizes him as an author who is not expressive but who is nonetheless markedly present on the screen. In Um Dia na Vida, however, Coutinho is completely absent form the image, while Últimas Conversas, on the contrary, includes a confessional prologue that moves the director from the margins to the center of his films. This article examines the ways in which these works stand out in the filmography of a director who offers new insights into the notion of cinematic authorship
Appropriate Similarity Measures for Author Cocitation Analysis
Full text linkWe provide a number of new insights into the methodological discussion about author cocitation analysis. We first argue that the use of the Pearson correlation for measuring the similarity between authors’ cocitation profiles is not very satisfactory. We then discuss what kind of similarity measures may be used as an alternative to the Pearson correlation. We consider three similarity measures in particular. One is the well-known cosine. The other two similarity measures have not been used before in the bibliometric literature. Finally, we show by means of an example that our findings have a high practical relevance.information science;Pearson correlation;cosine;similarity measure;author cocitation analysis
Dispelling the Myths Behind First-author Citation Counts
Full text linkWe conducted a full-scale evaluative citation analysis study of scholars in the XML research field to explore just how different from each other author rankings resulting from different citation counting methods actually are, and to demonstrate the capability of emerging data and tools on the Web in supporting more realistic citation counting methods. Our results contest some common arguments for the continued
use of first-author citation counts in the evaluation of scholars, such as high correlations between author rankings by first-author citation counts and other citation
counting methods, and high costs of using more realistic citation counting methods that are not well-supported by the ISI databases. It is argued that increasingly available digital full text research papers make it possible for citation analysis studies to go beyond what the ISI databases have directly supported and to employ more
sophisticated methods
koamabayili/VECTRON-author-checklist: VECTRON author checklist
No full textWe have done our best to complete the author checklist relating to the use of animals in the hut study. Note that the objective for the hut study was to evaluate the IRS treatment applications for residual efficacy against Anopheles mosquitoes, including the local An. coluzzii mosquito population. Cows were only used to attract mosquitoes into the huts and no tests were carried out directly on the cows. The author checklist is intended for use with studies where experiments are carried out on animals, which is why we have had such difficulty in completing this for the hut study, as many of the questions do not relate to how the cows were used
Author-wise bibliometric analysis based on entropy.
No full textAuthor-wise bibliometric analysis based on entropy.</p
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