Drugs Repurposing for Coronavirus Treatment: Computational Study Based On Molecular Topology

The present communication illustrates the results of a computational study based on molecular topology, focused on the repositioning of drugs to treat the SARS-CoV-2 virus, better known as coronavirus, responsible for the COVID-19 disease. Using lopinavir, a well-known viral protease inhibitor as th...

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Detalles Bibliográficos
Autores: Gálvez Álvarez, Jorge, Zanni, Ricardo, Gálvez-Llompart, María
Tipo de recurso: artículo
Fecha de publicación:2020
País:España
Institución:Universidad Católica de Valencia San Vicente Mártir
Repositorio:RIUCV. Repositorio de la Universidad Católica de Valencia San Vicente Mártir
Idioma:inglés
OAI Identifier:oai:riucv.ucv.es:20.500.12466/1179
Acceso en línea:http://hdl.handle.net/20.500.12466/1179
Access Level:acceso abierto
Palabra clave:COVID-19
Coronavirus
Drugs
Molecular topology
Fármacos
Tipología molecular
2302.21 Biología Molecular
2302.22 Farmacología Molecular
Descripción
Sumario:The present communication illustrates the results of a computational study based on molecular topology, focused on the repositioning of drugs to treat the SARS-CoV-2 virus, better known as coronavirus, responsible for the COVID-19 disease. Using lopinavir, a well-known viral protease inhibitor as the reference drug, a mathematical pattern is found allowing the screening of the market drugs, searching for potential candidates to inhibit the said enzyme. This way new possible therapeutic alternatives to fight the coronavirus are found. Results indicate that antivirals such as brecanavir, as well as various groups of drugs, among which are antibiotics of the macrolide family (azithromycin, clarithromycin and erythromycin among others) could be useful in treating COVID-19 infection.