Identification of novel drug scaffolds for inhibition of SARS-CoV 3-Chymotrypsin-like protease using virtual and high-throughput screenings.
Bioorg Med Chem
; 22(1): 167-77, 2014 Jan 01.
Article
in En
| MEDLINE
| ID: mdl-24332657
Key words
3 Chymotrypsin-like cysteine protease; 3CL(pro); CSM; Docking; FRET; HTS; High-throughput screening; K(D); K(i); MD; MLPCN; Molecular Libraries Probe Production Centers Network; Pharmacophore modeling; RMSD; ROC; SARS 3CL(pro); SARS-CoV; SPR; Severe Acute Respiratory Syndrome coronavirus; Surface plasmon resonance; VS; Virtual screening; computational solvent mapping; equilibrium dissociation constant; fluorescence resonance energy transfer; high-throughput screening; inhibition constant; molecular dynamics; receiver operating characteristic; root mean square deviation; surface plasmon resonance; virtual screening
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Severe acute respiratory syndrome-related coronavirus
Type of study:
Diagnostic_studies
/
Prognostic_studies
Limits:
Humans
Language:
En
Journal:
Bioorg Med Chem
Journal subject:
BIOQUIMICA
/
QUIMICA
Year:
2014
Document type:
Article
Affiliation country:
United States
Country of publication:
United kingdom