Use este identificador para citar ou linkar para este item: http://repositorio.ufla.br/jspui/handle/1/40132
Título : In silico studies on therapeutic agents for COVID-19: drug repurposing approach
Autor: Shah, Bhumi
Modi, Palmi
Sagar, Sneha R.
Palavras-chave: Coronavirus
COVID-19
Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2)
Middle East Respiratory Syndrome Coronavirus (MERS-CoV)
Docking studies
Antiviral drugs
Publicador: Elsevier
Data da publicação: Jul-2020
Referência: SHAH, B.; MODI, P.; SAGAR, S. R. In silico studies on therapeutic agents for COVID-19: drug repurposing approach. Life Sciences, [S.l.], v. 252, July 2020.
Abstract: Aims The severe acute respiratory syndrome coronavirus 2, better known as COVID-19 has become the current health concern to the entire world. Initially appeared in Wuhan, China around December 2019, it had spread to almost 187 countries due to its high contagious nature. Precautionary measures remain the sole obliging tactic to cease the person to person transmissions till any effective method of treatment or vaccine is developed. Amidst the pandemic, research and development of new molecule is labour-intensive and tedious process. Drug repurposing is the concept of identifying therapeutically potent molecule from the library of pre-existing molecules. Materials and methods In the present study, 61 molecules that are already being used in clinics or under clinical scrutiny as antiviral agents are surveyed via docking study. Docking study was performed using Maestro interface (Schrödinger Suite, LLC, NY). Key findings Out of these 61 molecules, 37 molecules were found to interact with >2 protein structures of COVID-19. The docking results indicate that amongst the reported molecules, HIV protease inhibitors and RNA-dependent RNA polymerase inhibitors showed promising features of binding to COVID-19 enzyme. Along with these, Methisazone an inhibitor of protein synthesis, CGP42112A an angiotensin AT2 receptor agonist and ABT450 an inhibitor of the non-structural protein 3-4A might become convenient treatment option as well against COVID-19. Significance The drug repurposing approach provide an insight about the therapeutics that might be helpful in treating corona virus disease.
URI: https://www.sciencedirect.com/science/article/abs/pii/S0024320520304008
http://repositorio.ufla.br/jspui/handle/1/40132
Idioma: en_US
Aparece nas coleções:FCS - Artigos sobre Coronavirus Disease 2019 (COVID-19)

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