Inhibitors of SARS-3CLpro: Virtual screening, biological evaluation, and molecular dynamics simulation studies

Journal of Chemical Information and Modeling

Volumn 51, Issue 6, 2011, Pages 1376-1392

  Mukherjee, Prasenjit ^a,b   Shah, Falgun ^a   Desai, Prashant ^a,c   Avery, Mitchell ^a  

^a UNIVERSITY OF MISSISSIPPI   (United States)

^b NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH   (United States)

^c ELI LILLY AND COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; BIOINFORMATICS; DIAGNOSIS; LIGANDS; MOLECULAR DYNAMICS;

BIOLOGICAL EVALUATION; INTERACTION PROFILES; MICROMOLAR INHIBITORS; MOLECULAR DYNAMICS SIMULATIONS; PROTEIN-LIGAND INTERACTIONS; SEVERE ACUTE RESPIRATORY SYNDROME; STRUCTURE-BASED DESIGNS; THERAPEUTIC TARGETS;

DISEASES;

3C LIKE PROTEASE, SARS CORONAVIRUS; 3C-LIKE PROTEASE, SARS CORONAVIRUS; CYSTEINE PROTEINASE; PROTEINASE INHIBITOR; SOLVENT; VIRUS PROTEIN;

ARTICLE; CHEMISTRY; COMPUTER INTERFACE; DRUG ANTAGONISM; DRUG DESIGN; DRUG SCREENING; ENZYMOLOGY; IC 50; METHODOLOGY; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; SARS CORONAVIRUS;

CYSTEINE ENDOPEPTIDASES; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; INHIBITORY CONCENTRATION 50; MOLECULAR DYNAMICS SIMULATION; PROTEASE INHIBITORS; PROTEIN CONFORMATION; SARS VIRUS; SOLVENTS; USER-COMPUTER INTERFACE; VIRAL PROTEINS;

EID: 79959754493     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci1004916     Document Type: Article

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