Search results for "virtu"

2019

Golgi α-mannosidase II (GMII) is a glycoside hydrolase playing a crucial role in the N-glycosylation pathway. In various tumour cell lines, the distribution of N-linked sugars on the cell surface is modified and correlates with the progression of tumour metastasis. GMII therefore is a possible molecular target for anticancer agents. Here, we describe the identification of a non-competitive GMII inhibitor using computer-aided drug design methods including identification of a possible allosteric binding site, pharmacophore search and virtual screening.

Structure-Activity Relationship Analysis of 3-Phenylcoumarin-Based Monoamine Oxidase B Inhibitors

2018

Monoamine oxidase B (MAO-B) catalyzes deamination of monoamines such as neurotransmitters dopamine and norepinephrine. Accordingly, small-molecule MAO-B inhibitors potentially alleviate the symptoms of dopamine-linked neuropathologies such as depression or Parkinson's disease. Coumarin with a functionalized 3-phenyl ring system is a promising scaffold for building potent MAO-B inhibitors. Here, a vast set of 3-phenylcoumarin derivatives was designed using virtual combinatorial chemistry or rationally de novo and synthesized using microwave chemistry. The derivatives inhibited the MAO-B at 100 nM−1 μM. The IC50 value of the most potent derivative 1 was 56 nM. A docking-based structure-activi…

An Industrial Automation Course: Common Infrastructure for Physical, Virtual and Remote Laboratories for PLC Programming

2018

<span style="font-family: 'Times New Roman',serif; font-size: 10pt; mso-fareast-font-family: 'Times New Roman'; mso-ansi-language: EN-US; mso-fareast-language: DE; mso-bidi-language: AR-SA;">This work describes the development of a teaching strategy to leverage current simulation tools and promote learning of industrial automation systems. Specifically, Programmable Logic Controller (PLC) programming in an industrial automation course. We propose an infrastructure where it is possible to work with physical, virtual and mixed laboratories</span>

Discovery of Natural Products as Novel and Potent FXR Antagonists by Virtual Screening

2018

Farnesoid X receptor (FXR) is a member of nuclear receptor family involved in multiple physiological processes through regulating specific target genes. The critical role of FXR as a transcriptional regulator makes it a promising target for diverse diseases, especially those related to metabolic disorders such as diabetes and cholestasis. However, the underlying activation mechanism of FXR is still a blur owing to the absence of proper FXR modulators. To identify potential FXR modulators, an in-house natural product database (NPD) containing over 4,000 compounds was screened by structure-based virtual screening strategy and subsequent hit-based similarity searching method. After the yeast t…

Off-Target-Based Design of Selective HIV-1 PROTEASE Inhibitors

2021

The approval of the first HIV-1 protease inhibitors (HIV-1 PRIs) marked a fundamental step in the control of AIDS, and this class of agents still represents the mainstay therapy for this illness. Despite the undisputed benefits, the necessary lifelong treatment led to numerous severe side-effects (metabolic syndrome, hepatotoxicity, diabetes, etc.). The HIV-1 PRIs are capable of interacting with “secondary” targets (off-targets) characterized by different biological activities from that of HIV-1 protease. In this scenario, the in-silico techniques undoubtedly contributed to the design of new small molecules with well-fitting selectivity against the main target, analyzing possible undesirabl…

A systematic review of immersive virtual reality applications for higher education: Design elements, lessons learned, and research agenda

2019

Abstract Researchers have explored the benefits and applications of virtual reality (VR) in different scenarios. VR possesses much potential and its application in education has seen much research interest lately. However, little systematic work currently exists on how researchers have applied immersive VR for higher education purposes that considers the usage of both high-end and budget head-mounted displays (HMDs). Hence, we propose using systematic mapping to identify design elements of existing research dedicated to the application of VR in higher education. The reviewed articles were acquired by extracting key information from documents indexed in four scientific digital libraries, whi…

Enhancement of Anticipatory Postural Adjustments by Virtual Reality in Older Adults with Cognitive and Motor Deficits: A Randomised Trial.

2021

Background: Postural activities involved in balance control integrate the anticipatory postural adjustments (APA) that stabilize balance and posture, facilitating arm movements and walking initiation and allowing an optimal coordination between posture and movement. Several studies reported the significant benefits of virtual reality (VR) exercises in frail older adults to decrease the anxiety of falling and to induce improvements in behavioural and cognitive abilities in rehabilitation processes. The aim of this study was thus to test the efficiency of a VR system on the enhancement of the APA period, compared to the use of a Nintendo Wii system. Methods: Frail older adults (n = 37) were i…

Cold-water immersion combined with active recovery is equally as effective as active recovery during 10 weeks of high-intensity combined strength and…

2019

Summary Study aim: The purpose of this study was to compare the effects of cold-water immersion (CWI) vs. active recovery performed after each individual strength and endurance training session over a 10-week period of high-intensity combined strength and endurance training. Materials and methods: Seventeen healthy men completed 10 weeks of high-intensity combined strength and endurance training. One group (AR, n = 10) completed active recovery that included 15 minutes of running at 30–40% VO2max after every strength training session while the other group (CWI, n = 7) completed 5 minutes of active recovery (at the same intensity as the AR group) followed by 10 minutes of cold-water (12 ± 1°…

Artefact co-construction in virtual exchange: 'Youth Entrepreneurship for Society'

2020

The aim of this research study around the co-construction and sharing of authentic and meaningful artefacts within the 'Youth Entrepreneurship for Society' virtual exchange was to find out how the implementation of artefact-based telecollaborative tasks fosters 21st competences and social entrepreneurship in English for Specific Purposes settings. The project tasks were informed by constructionism and supported virtual collaboration an effort to promote social justice. They revolved around social entrepreneurship in English for Specific Purposes contexts, aiming to connect the classroom with the outside world through the involvement of local organisations, while fostering students' twenty-f…

Combining expertise from linguistics and tourism: a tale of two cities

2020

This case study presents the results of an interdisciplinary Virtual Exchange (VE) that was arranged between Finnish and Polish students in 2019. During their six-week collaboration, the students of language studies at the University of Jyväskylä, Finland, worked in teams together with their Polish peers specialising in information and communications technology and management in tourism at Adam Mickiewicz University in Poznań, Poland. The international teams combined their linguistic and tourism-promotion expertise, and, using collaborative digital tools, grappled with the tasks of analysing the official municipal city websites and promoting the lesser-known aspects of their sister cities (…