Targeting the PEDV 3CL protease for identification of small molecule inhibitors: an insight from virtual screening, ADMET prediction, molecular dynamics, free energy landscape, and binding energy calculations

BACKGROUND: The porcine epidemic diarrhea virus (PEDV) represents a major health issue for piglets worldwide and does significant damage to the pork industry. Thus, new therapeutic approaches are urgently needed to manage PEDV infections. Due to the current lack of a reliable remedy, this present st...

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Detalles Bibliográficos
Autores principales: Pathak, Rajesh Kumar, Kim, Won-Il, Kim, Jun-Mo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2023
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10112315/
https://www.ncbi.nlm.nih.gov/pubmed/37072787
http://dx.doi.org/10.1186/s13036-023-00342-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10112315/
https://www.ncbi.nlm.nih.gov/pubmed/37072787
http://dx.doi.org/10.1186/s13036-023-00342-y

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