scholarly journals Using in silico viral kinetic models to guide therapeutic strategies during a pandemic: An example in SARS‐CoV‐2

Author(s):  
Kashyap Patel ◽  
Michael Dodds ◽  
Antonio Gonçalves ◽  
Mohamed A. Kamal ◽  
Craig R. Rayner ◽  
...  
2020 ◽  
Author(s):  
Kashyap Patel ◽  
Michael Dodds ◽  
Antonio Goncalves ◽  
Mohamed Kamal ◽  
Craig Rayner ◽  
...  

2021 ◽  
Author(s):  
Manoj Khokhar ◽  
Sojit Tomo ◽  
Purvi Purohit

Background: Coronavirus disease 2019 is characterized by the elevation of a wide spectrum of inflammatory mediators which are associated with poor disease outcomes. We aimed at an in-silico analysis of regulatory microRNA and their transcription factors (TF) for these inflammatory genes that may help to devise potential therapeutic strategies in the future. Methods: The cytokine regulating immune-expressed genes (CRIEG) were sorted from literature and GEO microarray dataset and their co-differentially expressed miRNA and transcription factors were predicted from publicly available databases. Enrichment analysis was done through mienturnet, MiEAA, and Gene Ontology, and pathways predicted by KEGG and Reactome pathways. The functional and regulatory features were analyzed and visualized through Cytoscape. Results: Sixteen CRIEG were observed to have a significant protein-protein interaction network. The ontological analysis revealed significantly enriched pathways for biological processes, molecular functions, and cellular components. The search performed in the miRNA database yielded 10 miRNAs that are significantly involved in the regulation of these genes and their transcription factors. Conclusion: An In-Silico representation of a network involving miRNAs, CRIEGs, and TF which take part in the inflammatory response in COVID-19 has been elucidated. These regulatory factors may have potentially critical roles in the inflammatory response in COVID-19 and may be explored further for the development of targeted therapeutic strategies and mechanistic validation.


2003 ◽  
Vol 10 (S1) ◽  
pp. S7-S8 ◽  
Author(s):  
E Herrmann ◽  
S Zeuzem

Molecules ◽  
2020 ◽  
Vol 25 (17) ◽  
pp. 3813 ◽  
Author(s):  
Hélder Oliveira ◽  
Ana Fernandes ◽  
Natércia F. Brás ◽  
Nuno Mateus ◽  
Victor de Freitas ◽  
...  

Many efforts have been made in the past two decades into the search for novel natural and less-toxic anti-diabetic agents. Some clinical trials have assigned this ability to anthocyanins, although different factors like the food source, the amount ingested, the matrix effect and the time of consumption (before or after a meal) seem to result in contradictory conclusions. The possible mechanisms involved in these preventive or therapeutic effects will be discussed—giving emphasis to the latest in vitro and in silico approaches. Therapeutic strategies to counteract metabolic alterations related to hyperglycemia and Type 2 Diabetes Mellitus (T2DM) may include: (a) Inhibition of carbohydrate-metabolizing enzymes; (b) reduction of glucose transporters expression or activity; (c) inhibition of glycogenolysis and (d) modulation of gut microbiota by anthocyanin breakdown products. These strategies may be achieved through administration of individual anthocyanins or by functional foods containing complexes of anthocyanin:carbohydrate:protein.


2015 ◽  
Vol 2015 ◽  
pp. 1-7 ◽  
Author(s):  
Pauline Mazzocco ◽  
Jérôme Honnorat ◽  
François Ducray ◽  
Benjamin Ribba

Background. We previously developed a mathematical model capturing tumor size dynamics of adult low-grade gliomas (LGGs) before and after treatment either with PCV (Procarbazine, CCNU, and Vincristine) chemotherapy alone or with radiotherapy (RT) alone.Objective. The aim of the present study was to present how the model could be used as a simulation tool to suggest more effective therapeutic strategies in LGGs. Simulations were performed to identify schedule modifications that might improve PCV chemotherapy efficacy.Methods. Virtual populations of LGG patients were generated on the basis of previously evaluated parameter distributions. Monte Carlo simulations were performed to compare treatment efficacy acrossin silicoclinical trials.Results. Simulations predicted that RT plus PCV would be more effective in terms of duration of response than RT alone. Additional simulations suggested that, in patients treated with PCV chemotherapy, increasing the interval between treatment cycles up to 6 months from the standard 6 weeks can increase treatment efficacy. The predicted median duration of response was 4.3 years in LGGs treated with PCV cycles given every 6 months versus 3.1 years in patients treated with the classical regimen.Conclusion. The present study suggests that, in LGGs, mathematical modeling could facilitate clinical research by helping to identify,in silico, potentially more effective therapeutic strategies.


Foods ◽  
2020 ◽  
Vol 9 (8) ◽  
pp. 1036 ◽  
Author(s):  
Giacomo Di Matteo ◽  
Mattia Spano ◽  
Michela Grosso ◽  
Andrea Salvo ◽  
Cinzia Ingallina ◽  
...  

Foods, food ingredients, and their balanced consumption are recognized to have an important role in achieving or maintaining a state of wellbeing by acting as carriers of functional components and bioactive molecules. However, the potential contribution of foods to consumers’ health has so far only been partially exploited. The rapidly evolving scenario of the coronavirus disease 2019 (COVID-19) pandemic is stimulating profound reflection on the relationships between food and the etiological agent, the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Here, the status of knowledge regarding food as a possible defense/co-therapeutic strategy against the SARS-CoV-2 coronavirus is considered through the discussion of two main current lines of research. One line of research relates to the role of micronutrients, food components, and diets in the strengthening of the immune system through clinical trials; formulations could be developed as immune system enhancers or as co-adjuvants in therapies. The other line of research relates to investigation of the chemical interactions that specific food compounds can have with host or virus targets so as to interfere with the viral infective cycle of SARS-CoV-2. This line requires, as a first step, an in silico evaluation to discover lead compounds, which may be further developed through drug-design studies, in vitro and in vivo tests, and, finally, clinical trials to obtain therapeutic molecules. All of these promising strategies promote the role of food in preventive/co-therapeutic strategies to tackle the COVID-19 pandemic.


2019 ◽  
Vol 11 ◽  
pp. 33-49 ◽  
Author(s):  
Judith C. Madden ◽  
Gopal Pawar ◽  
Mark T.D. Cronin ◽  
Steven Webb ◽  
Yu-Mei Tan ◽  
...  

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