A computational drug repurposing approach in identifying the cephalosporin antibiotic and anti-hepatitis C drug derivatives for COVID-19 treatment.

Kumar, Raj; Kumar, Vikas; Lee, Keun Woo

Kumar, Raj; Kumar, Vikas; Lee, Keun Woo.

Afiliación

Kumar R; Department of Biotechnology and Bioinformatics, Jaypee University of Information Technology, Waknaghat, Solan, Himachal Pradesh, 173 234, India. Electronic address: raj.kumar@juit.ac.in.
Kumar V; Division of Life Science, Department of Bio & Medical Big Data (BK21 Four Program), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of Natural Science (RINS), Gyeongsang National University (GNU), 501 Jinju-daero, Jinju, 52828, Republic of Korea.
Lee KW; Division of Life Science, Department of Bio & Medical Big Data (BK21 Four Program), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of Natural Science (RINS), Gyeongsang National University (GNU), 501 Jinju-daero, Jinju, 52828, Republic of Korea. Electronic address: kwlee@gnu.ac.kr.

Comput Biol Med ; 130: 104186, 2021 03.

Article en En | MEDLINE | ID: mdl-33360831

Asunto(s)

Tratamiento Farmacológico de COVID-19; COVID-19/enzimología; Cefalosporinas/química; Proteasas 3C de Coronavirus; Reposicionamiento de Medicamentos; Hepacivirus/enzimología; Hepatitis C/tratamiento farmacológico; Simulación de Dinámica Molecular; Oligopéptidos/química; SARS-CoV-2; Cefalosporinas/uso terapéutico; Proteasas 3C de Coronavirus/antagonistas & inhibidores; Proteasas 3C de Coronavirus/química; Hepatitis C/enzimología; Humanos; Oligopéptidos/uso terapéutico; SARS-CoV-2/química; SARS-CoV-2/enzimología; Ceftarolina

Palabras clave

COVID-19; Drug repurposing; Free energy calculations; Molecular dynamics; SARS-CoV-2; Virtual screening

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Oligopéptidos / Cefalosporinas / Hepatitis C / Hepacivirus / Simulación de Dinámica Molecular / Reposicionamiento de Medicamentos / Proteasas 3C de Coronavirus / SARS-CoV-2 / COVID-19 / Tratamiento Farmacológico de COVID-19 Tipo de estudio: Prognostic_studies Límite: Humans Idioma: En Revista: Comput Biol Med Año: 2021 Tipo del documento: Article

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