scholarly journals Expanding our understanding of the role polyprotein conformation plays in the coronavirus life cycle

2020 ◽  
Vol 477 (8) ◽  
pp. 1479-1482
Author(s):  
Samantha Gildenhuys

Coronavirus are the causative agents in many globally concerning respiratory disease outbreaks such as severe acute respiratory syndrome (SARS), Middle East respiratory syndrome (MERS) and coronavirus disease-2019 (COVID-19). It is therefore important that we improve our understanding of how the molecular components of the virus facilitate the viral life cycle. These details will allow for the design of effective interventions. Krichel and coauthors in their article in the Biochemical Journal provide molecular details of how the viral polyprotein (nsp7–10) produced from the positive single stranded RNA genome, is cleaved to form proteins that are part of the replication/transcription complex. The authors highlight the impact the polyprotein conformation has on the cleavage efficiency of the main protease (Mpro) and hence the order of release of non-structural proteins 7–10 (nsp7–10) of the SARS-CoV. Cleavage order is important in controlling viral processes and seems to have relevance in terms of the protein–protein complexes formed. The authors made use of mass spectrometry to advance our understanding of the mechanism by which coronaviruses control nsp 7, 8, 9 and 10 production in the virus life cycle.

2020 ◽  
Author(s):  
Shruti Koulgi ◽  
Vinod Jani ◽  
Mallikarjunachari Uppuladinne ◽  
Uddhavesh Sonavane ◽  
Asheet Kumar Nath ◽  
...  

<p>The COVID-19 pandemic has been responsible for several deaths worldwide. The causative agent behind this disease is the Severe Acute Respiratory Syndrome – novel Coronavirus 2 (SARS-nCoV2). SARS-nCoV2 belongs to the category of RNA viruses. The main protease, responsible for the cleavage of the viral polyprotein is considered as one of the hot targets for treating COVID-19. Earlier reports suggest the use of HIV anti-viral drugs for targeting the main protease of SARS-CoV, which caused SARS in the year 2002-03. Hence, drug repurposing approach may prove to be useful in targeting the main protease of SARS-nCoV2. The high-resolution crystal structure of 3CL<sup>pro</sup> (main protease) of SARS-nCoV2 (PDB ID: 6LU7) was used as the target. The Food and Drug Administration (FDA) approved and SWEETLEAD database of drug molecules were screened. The apo form of the main protease was simulated for a cumulative of 150 ns and 10 μs open source simulation data was used, to obtain conformations for ensemble docking. The representative structures for docking were selected using RMSD-based clustering and Markov State Modeling analysis. This ensemble docking approach for main protease helped in exploring the conformational variation in the drug binding site of the main protease leading to efficient binding of more relevant drug molecules. The drugs obtained as best hits from the ensemble docking possessed anti-bacterial and anti-viral properties. Small molecules with these properties may prove to be useful to treat symptoms exhibited in COVID-19. This <i>in-silico</i> ensemble docking approach would support identification of potential candidates for repurposing against COVID-19.</p>


2003 ◽  
Author(s):  
Shayne Brannman ◽  
Eric W. Christensen ◽  
Ronald H. Nickel ◽  
Cori Rattelman ◽  
Richard D. Miller

Foods ◽  
2021 ◽  
Vol 10 (4) ◽  
pp. 873
Author(s):  
Francisco Javier Flor-Montalvo ◽  
Agustín Sánchez-Toledo Ledesma ◽  
Eduardo Martínez Cámara ◽  
Emilio Jiménez-Macías ◽  
Jorge Luis García-Alcaraz ◽  
...  

Natural stoppers are a magnificent closure for the production of aging wines and unique wines, whose application is limited by the availability of raw materials and more specifically of cork sheets of different thickness and quality. The growing demand for quality wine bottle closures leads to the search for alternative stopper production. The two-piece stopper is an alternative since it uses non-usable plates in a conventional way for the production of quality caps. The present study has analyzed the impact of the manufacture of these two-piece stoppers using different methodologies and for different dimensions by developing an LCA (Life Cycle Assessment), concluding that the process phases of the plate, its boiling, and its stabilization, are the phases with the greatest impact. Likewise, it is detected that the impacts in all phases are relatively similar (for one kg of net cork produced), although the volumetric difference between these stoppers represents a significant difference in impacts for each unit produced.


Author(s):  
M. von der Thannen ◽  
S. Hoerbinger ◽  
C. Muellebner ◽  
H. Biber ◽  
H. P. Rauch

AbstractRecently, applications of soil and water bioengineering constructions using living plants and supplementary materials have become increasingly popular. Besides technical effects, soil and water bioengineering has the advantage of additionally taking into consideration ecological values and the values of landscape aesthetics. When implementing soil and water bioengineering structures, suitable plants must be selected, and the structures must be given a dimension taking into account potential impact loads. A consideration of energy flows and the potential negative impact of construction in terms of energy and greenhouse gas balance has been neglected until now. The current study closes this gap of knowledge by introducing a method for detecting the possible negative effects of installing soil and water bioengineering measures. For this purpose, an environmental life cycle assessment model has been applied. The impact categories global warming potential and cumulative energy demand are used in this paper to describe the type of impacts which a bioengineering construction site causes. Additionally, the water bioengineering measure is contrasted with a conventional civil engineering structure. The results determine that the bioengineering alternative performs slightly better, in terms of energy demand and global warming potential, than the conventional measure. The most relevant factor is shown to be the impact of the running machines at the water bioengineering construction site. Finally, an integral ecological assessment model for applications of soil and water bioengineering structures should point out the potential negative effects caused during installation and, furthermore, integrate the assessment of potential positive effects due to the development of living plants in the use stage of the structures.


2021 ◽  
Vol 11 (9) ◽  
pp. 3820
Author(s):  
Noelia Llantoy ◽  
Gabriel Zsembinszki ◽  
Valeria Palomba ◽  
Andrea Frazzica ◽  
Mattia Dallapiccola ◽  
...  

With the aim of contributing to achieving the decarbonization of the energy sector, the environmental impact of an innovative system to produce heating and domestic hot water for heating demand-dominated climates is assessed is evaluated. The evaluation is conducted using the life cycle assessment (LCA) methodology and the ReCiPe and IPCC GWP indicators for the manufacturing and operation stages, and comparing the system to a reference one. Results show that the innovative system has a lower overall impact than the reference one. Moreover, a parametric study to evaluate the impact of the refrigerant is carried out, showing that the impact of the overall systems is not affected if the amount of refrigerant or the impact of refrigerant is increased.


2021 ◽  
Vol 13 (9) ◽  
pp. 5322
Author(s):  
Gabriel Zsembinszki ◽  
Noelia Llantoy ◽  
Valeria Palomba ◽  
Andrea Frazzica ◽  
Mattia Dallapiccola ◽  
...  

The buildings sector is one of the least sustainable activities in the world, accounting for around 40% of the total global energy demand. With the aim to reduce the environmental impact of this sector, the use of renewable energy sources coupled with energy storage systems in buildings has been investigated in recent years. Innovative solutions for cooling, heating, and domestic hot water in buildings can contribute to the buildings’ decarbonization by achieving a reduction of building electrical consumption needed to keep comfortable conditions. However, the environmental impact of a new system is not only related to its electrical consumption from the grid, but also to the environmental load produced in the manufacturing and disposal stages of system components. This study investigates the environmental impact of an innovative system proposed for residential buildings in Mediterranean climate through a life cycle assessment. The results show that, due to the complexity of the system, the manufacturing and disposal stages have a high environmental impact, which is not compensated by the reduction of the impact during the operational stage. A parametric study was also performed to investigate the effect of the design of the storage system on the overall system impact.


2021 ◽  
Vol 13 (10) ◽  
pp. 5726
Author(s):  
Aleksandra Wewer ◽  
Pinar Bilge ◽  
Franz Dietrich

Electromobility is a new approach to the reduction of CO2 emissions and the deceleration of global warming. Its environmental impacts are often compared to traditional mobility solutions based on gasoline or diesel engines. The comparison pertains mostly to the single life cycle of a battery. The impact of multiple life cycles remains an important, and yet unanswered, question. The aim of this paper is to demonstrate advances of 2nd life applications for lithium ion batteries from electric vehicles based on their energy demand. Therefore, it highlights the limitations of a conventional life cycle analysis (LCA) and presents a supplementary method of analysis by providing the design and results of a meta study on the environmental impact of lithium ion batteries. The study focuses on energy demand, and investigates its total impact for different cases considering 2nd life applications such as (C1) material recycling, (C2) repurposing and (C3) reuse. Required reprocessing methods such as remanufacturing of batteries lie at the basis of these 2nd life applications. Batteries are used in their 2nd lives for stationary energy storage (C2, repurpose) and electric vehicles (C3, reuse). The study results confirm that both of these 2nd life applications require less energy than the recycling of batteries at the end of their first life and the production of new batteries. The paper concludes by identifying future research areas in order to generate precise forecasts for 2nd life applications and their industrial dissemination.


Author(s):  
V. Russo ◽  
A. E. Strever ◽  
H. J. Ponstein

Abstract Purpose Following the urgency to curb environmental impacts across all sectors globally, this is the first life cycle assessment of different wine grape farming practices suitable for commercial conventional production in South Africa, aiming at better understanding the potentials to reduce adverse effects on the environment and on human health. Methods An attributional life cycle assessment was conducted on eight different scenarios that reduce the inputs of herbicides and insecticides compared against a business as usual (BAU) scenario. We assess several impact categories based on ReCiPe, namely global warming potential, terrestrial acidification, freshwater eutrophication, terrestrial toxicity, freshwater toxicity, marine toxicity, human carcinogenic toxicity and human non-carcinogenic toxicity, human health and ecosystems. A water footprint assessment based on the AWARE method accounts for potential impacts within the watershed. Results and discussion Results show that in our impact assessment, more sustainable farming practices do not always outperform the BAU scenario, which relies on synthetic fertiliser and agrochemicals. As a main trend, most of the impact categories were dominated by energy requirements of wine grape production in an irrigated vineyard, namely the usage of electricity for irrigation pumps and diesel for agricultural machinery. The most favourable scenario across the impact categories provided a low diesel usage, strongly reduced herbicides and the absence of insecticides as it applied cover crops and an integrated pest management. Pesticides and heavy metals contained in agrochemicals are the main contributors to emissions to soil that affected the toxicity categories and impose a risk on human health, which is particularly relevant for the manual labour-intensive South African wine sector. However, we suggest that impacts of agrochemicals on human health and the environment are undervalued in the assessment. The 70% reduction of toxic agrochemicals such as Glyphosate and Paraquat and the 100% reduction of Chlorpyriphos in vineyards hardly affected the model results for human and ecotoxicity. Our concerns are magnified by the fact that manual labour plays a substantial role in South African vineyards, increasing the exposure of humans to these toxic chemicals at their workplace. Conclusions A more sustainable wine grape production is possible when shifting to integrated grape production practices that reduce the inputs of agrochemicals. Further, improved water and related electricity management through drip irrigation, deficit irrigation and photovoltaic-powered irrigation is recommendable, relieving stress on local water bodies, enhancing drought-preparedness planning and curbing CO2 emissions embodied in products.


2021 ◽  
Vol 12 (1) ◽  
Author(s):  
G. Cencetti ◽  
G. Santin ◽  
A. Longa ◽  
E. Pigani ◽  
A. Barrat ◽  
...  

AbstractDigital contact tracing is a relevant tool to control infectious disease outbreaks, including the COVID-19 epidemic. Early work evaluating digital contact tracing omitted important features and heterogeneities of real-world contact patterns influencing contagion dynamics. We fill this gap with a modeling framework informed by empirical high-resolution contact data to analyze the impact of digital contact tracing in the COVID-19 pandemic. We investigate how well contact tracing apps, coupled with the quarantine of identified contacts, can mitigate the spread in real environments. We find that restrictive policies are more effective in containing the epidemic but come at the cost of unnecessary large-scale quarantines. Policy evaluation through their efficiency and cost results in optimized solutions which only consider contacts longer than 15–20 minutes and closer than 2–3 meters to be at risk. Our results show that isolation and tracing can help control re-emerging outbreaks when some conditions are met: (i) a reduction of the reproductive number through masks and physical distance; (ii) a low-delay isolation of infected individuals; (iii) a high compliance. Finally, we observe the inefficacy of a less privacy-preserving tracing involving second order contacts. Our results may inform digital contact tracing efforts currently being implemented across several countries worldwide.


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