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The airways of persons with cystic fibrosis are prone to infection by a diverse and dynamic polymicrobial consortium. Currently, no models exist that permit recapitulation of this consortium within the laboratory. Such microbial...

perspective Coculture Cystic Fibrosis In silico in vitro In vivo infection model interspecies interactions microbiology polymicrobial

The ongoing pandemic caused by the novel coronavirus has been the greatest global health crisis since the Spanish flu pandemic of 1918. Thus far, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has resulted in over...

coronavirus covid-19 SARS-CoV-2 Mpro main protease fragment-guided Drug Discovery pharmacophore Molecular docking natural products In silico

The ongoing coronavirus pandemic has been a burden on the worldwide population, with mass fatalities and devastating socioeconomic consequences. It has particularly drawn attention to the lack of approved small-molecule drugs to...

covid-19 PLpro SARS coronavirus 2 analogues docking Drug Discovery In silico papain-like protease Scaffold hopping Virtual screening Antiviral Agents covid-19 Coronavirus 3C Proteases Crystallography X-Ray Cysteine Proteinase Inhibitors Drug Evaluation Preclinical Humans Molecular Docking Simulation SARS-CoV-2 COVID-19 Drug Treatment

The ongoing pandemic caused by the novel coronavirus has been the greatest global health crisis since the Spanish flu pandemic of 1918. Thus far, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has resulted in over...

covid-19 SARS-CoV-2 Mpro coronavirus Drug Discovery fragment-guided In silico main protease Molecular docking natural products pharmacophore covid-19 Coronavirus 3C Proteases Humans Molecular Docking Simulation Molecular Dynamics Simulation Pandemics SARS-CoV-2 COVID-19 Drug Treatment

The ongoing coronavirus pandemic has been a burden on the worldwide population, with mass fatalities and devastating socioeconomic consequences. It has particularly drawn attention to the lack of approved small-molecule drugs to...

Drug Discovery papain-like protease PLpro SARS coronavirus 2 covid-19 analogues In silico docking Scaffold hopping Virtual screening

There is considerable physiological and clinical evidence of harm and increased risk of death associated with dysglycemia in critical care. However, glycemic control (GC) currently leads to increased hypoglycemia, independently...

Artificial Pancreas Endocrine function glycemic control In silico Model based modeling Review validation Virtual patient Critical Illness Glycemic Load Humans Hyperglycemia Hypoglycemia Islets of Langerhans metabolism

Although antibodies have become the fastest-growing class of therapeutics on the market, it is still challenging to develop them for therapeutic applications, which often require these molecules to withstand stresses that are...

CamSol method developability Immunogenicity In silico PREDICTION Stability Therapeutic antibody Amino Acid Sequence Antibodies Monoclonal Computer Simulation