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3. The impact of the COVID-19 pandemic in 2020 on the quality of STEM higher educationZorka Novak-Pintarič, Zdravko Kravanja, 2020, short scientific article Abstract: Pandemic COVID-19 has forced universities around the world to go online virtually overnight. This has been a major challenge, especially for study programmes in STEM areas (Science, Technology, Engineering, Mathematics) where distance learning was not previously preferred. This was mainly due to a large proportion of the experimental laboratory work done by students, which could reach up to half of all contact hours. While the lectures were utilized practically immediately after lockdown using video conferencing systems, the implementation of the practical study contents posed a greater challenge. This paper presents specific adaptations for certain activities in the university education of chemical engineering that had to be implemented quickly, such as laboratory and computer exercises, students' final theses and dissertations, internships, knowledge examination and evaluation. We highlight the most critical activities and most urgent solutions that were initiated. Various measures taken against the spread of the coronavirus had to take into account many uncertainties about the duration of the pandemic to ensure that students acquire the desired competences and skills in time without being physically present in the laboratories. Particular attention is paid to examinations, especially calculus tests, which are difficult to apply remotely. First evaluations show that the adapted learning process has been carried out effectively, but the big unknown is how successfully the students will pass the exams and how the lessons will be conducted in next academic year.
Keywords: pandemic, higher education, COVID-19, coronavirus
Published: 16.12.2020; Views: 475; Downloads: 53
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4. Ensemble Docking Coupled to Linear Interaction Energy Calculations for Identification of Coronavirus Main Protease (3CLpro) Non-Covalent Small-Molecule InhibitorsMarko Jukič, Dušanka Janežič, Urban Bren, 2020, original scientific article Abstract: SARS-CoV-2, or severe acute respiratory syndrome coronavirus 2, represents a new strain of Coronaviridae. In the closing 2019 to early 2020 months, the virus caused a global pandemic of COVID-19 disease. We performed a virtual screening study in order to identify potential inhibitors of the SARS-CoV-2 main viral protease (3CLpro or Mpro). For this purpose, we developed a novel approach using ensemble docking high-throughput virtual screening directly coupled with subsequent Linear Interaction Energy (LIE) calculations to maximize the conformational space sampling and to assess the binding affinity of identified inhibitors. A large database of small commercial compounds was prepared, and top-scoring hits were identified with two compounds singled out, namely 1-[(R)-2-(1,3-benzimidazol-2-yl)-1-pyrrolidinyl]-2-(4-methyl-1,4-diazepan-1-yl)-1-ethanone and [({(S)-1-[(1H-indol-2-yl)methyl]-3-pyrrolidinyl}methyl)amino](5-methyl-2H-pyrazol-3-yl)formaldehyde. Moreover, we obtained a favorable binding free energy of the identified compounds, and using contact analysis we confirmed their stable binding modes in the 3CLpro active site. These compounds will facilitate further 3CLpro inhibitor design.
Keywords: COVID-19, SARS-CoV-2, Mpro, 3CLpro, 3C-like protease, virtual screening, inhibitors, in silico drug design, free-energy calculations
Published: 10.12.2020; Views: 171; Downloads: 38
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