Identification and design of novel small molecule inhibitors against MERS-CoV papain-like protease via high-throughput screening and molecular modeling

[Display omitted] The development of new therapeutic agents against the coronavirus causing Middle East Respiratory Syndrome (MERS) is a continuing imperative. The initial MERS-CoV epidemic was contained entirely through public health measures, but episodic cases continue, as there are currently no...

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Veröffentlicht in:	Bioorganic & medicinal chemistry 2019-05, Vol.27 (10), p.1981-1989
Hauptverfasser:	Lee, Hyun, Ren, Jinhong, Pesavento, Russell P., Ojeda, Isabel, Rice, Amy J., Lv, Haining, Kwon, Youngjin, Johnson, Michael E.
Format:	Artikel
Sprache:	eng
Schlagworte:	Binding Sites Drug Design Electron Spin Resonance Spectroscopy Fragment screening High-throughput screening High-Throughput Screening Assays Humans Middle East Respiratory Syndrome Coronavirus (MERS-CoV) Middle East Respiratory Syndrome Coronavirus - enzymology Molecular Docking Simulation Molecular modeling Papain-like protease Peptide Hydrolases - chemistry Peptide Hydrolases - metabolism Protease Inhibitors - chemistry Protease Inhibitors - metabolism Protein Structure, Tertiary Small molecule inhibitor Small Molecule Libraries - chemistry Small Molecule Libraries - metabolism Structure-Activity Relationship Viral Proteins - antagonists & inhibitors Viral Proteins - metabolism
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