Browsing Research Articles [LISBE] by Author "Deogratias, Geradius"
Now showing items 1-3 of 3
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Ensemble-based screening of natural products and FDA-approved drugs identified potent inhibitors of SARS-CoV-2 that work with two distinct mechanisms
Shadrack, Daniel; Deogratias, Geradius; Kiruri, Lucy; Swai, Hulda; Vianney, John-Mary; Nyandoro, Stephen (Elsevier Ltd., 2021-06)The recent outbreak of SARS-CoV-2 is responsible for high morbidity and mortality rate across the globe. This requires an urgent identification of drugs and other interventions to overcome this pandemic. Computational ... -
Ensemble-based screening of natural products and FDA-approved drugs identified potent inhibitors of SARS-CoV-2 that work with two distinct mechanisms
Shadrack, Daniel; Deogratias, Geradius; Kiruri, Lucy; Swai, Hulda; Vianney, John-Mary; Nyandoro, Stephen (Elsevier Inc., 2021-02-23)The recent outbreak of SARS-CoV-2 is responsible for high morbidity and mortality rate across the globe. This requires an urgent identification of drugs and other interventions to overcome this pandemic. Computational drug ... -
Luteolin: a blocker of SARS-CoV-2 cell entry based on relaxed complex scheme, molecular dynamics simulation, and metadynamics
Shadrack, Daniel; Deogratias, Geradius; Kiruri, Lucy; Onoka, Isaac; Vianney, John-Mary; Swai, Hulda; Nyandoro, Stephen (Springer Nature, 2021-07-08)Natural products have served human life as medications for centuries. During the outbreak of COVID-19, a number of naturally derived compounds and extracts have been tested or used as potential remedies against COVID-19. ...