Discovery, synthesis, and structure-based optimization of a series of N -(tert -Butyl)-2-(N -arylamido)-2-(pyridin-3-yl) acetamides (ML188) as potent noncovalent small molecule inhibitors of the severe acute respiratory syndrome coronavirus (SARS-CoV) 3CL protease

Journal of Medicinal Chemistry

Volumn 56, Issue 2, 2013, Pages 534-546

  Jacobs, Jon ^a,b   Grum Tokars, Valerie ^c   Zhou, Ya ^a,b   Turlington, Mark ^a,b   Saldanha, S Adrian ^d   Chase, Peter ^d   Eggler, Aimee ^e   Dawson, Eric S ^a,b   Baez Santos, Yahira M ^e   Tomar, Sakshi ^e   Mielech, Anna M ^f   Baker, Susan C ^f   Lindsley, Craig W ^a,b,g   Hodder, Peter ^d   Mesecar, Andrew ^e   Stauffer, Shaun R ^a,b,g  

^a VANDERBILT UNIVERSITY SCHOOL OF MEDICINE   (United States)

^b VANDERBILT UNIVERSITY MEDICAL CENTER   (United States)

^c NORTHWESTERN UNIVERSITY   (United States)

^d Scripps Research Institute Molecular Screening Center   (United States)

^e PURDUE UNIVERSITY   (United States)

^f Division of Infectious Diseases   (United States)

^g VANDERBILT UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDE; ANTIVIRUS AGENT; CINANSERIN; ML 188; N [4 (TERTBUTYL)HENYL] N [2 (TERT BUTYLAMINO) 2 OXO 1 (PYRIDIN 3 YL)ETHYL]FURAN 2 CARBOXAMIDE; NONSTRUCTURAL PROTEIN 5; PROTEINASE INHIBITOR; UNCLASSIFIED DRUG;

ANTIVIRAL ACTIVITY; ARTICLE; CONTROLLED STUDY; DRUG DESIGN; DRUG MECHANISM; DRUG SCREENING; DRUG STRUCTURE; DRUG SYNTHESIS; ENZYME BINDING; ENZYME MODIFICATION; MOLECULAR WEIGHT; PROTEINASE INHIBITION; SARS CORONAVIRUS; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

ACETAMIDES; DRUG DISCOVERY; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEASE INHIBITORS; SARS VIRUS; SEVERE ACUTE RESPIRATORY SYNDROME; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84872775313     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm301580n     Document Type: Article

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