Identification of repurposing therapeutics toward SARS-CoV-2 main protease by virtual screening

SARS-CoV-2 causes the current global pandemic coronavirus disease 2019. Widely-available effective drugs could be a critical factor in halting the pandemic. The main protease (3CL.sup.pro) plays a vital role in viral replication; therefore, it is of great interest to find inhibitors for this enzyme....

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Veröffentlicht in:	PloS one 2022-06, Vol.17 (6), p.e0269563-e0269563
Hauptverfasser:	Sanachai, Kamonpan, Somboon, Tuanjai, Wilasluck, Patcharin, Deetanya, Peerapon, Wolschann, Peter, Langer, Thierry, Lee, Vannajan Sanghiran, Wangkanont, Kittikhun, Rungrotmongkol, Thanyada, Hannongbua, Supot
Format:	Artikel
Sprache:	eng
Schlagworte:	Analogs Biology and life sciences Clinical trials Complications and side effects Coronaviruses COVID-19 COVID-19 vaccines Crystal structure Disease transmission Drugs Enzymes Evaluation Genomes Health aspects Homeopathy Hydrogen bonds Inhibitors Ligands Materia medica and therapeutics Medical tests Medicine and Health Sciences Molecular docking Molecular dynamics Molecular structure Pandemics Patient outcomes Pharmacokinetics Physical Sciences Protease Proteases Proteinase Proteins Research and Analysis Methods Screening Severe acute respiratory syndrome Severe acute respiratory syndrome coronavirus 2 Simulation Therapeutics Viral diseases
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