Identification of chikungunya virus nsP2 protease inhibitors using structure-base approaches

Journal of Molecular Graphics and Modelling

Volumn 57, Issue , 2015, Pages 1-8

  Nguyen, Phuong T V ^a   Yu, Haibo ^a   Keller, Paul A ^a  

^a UNIVERSITY OF WOLLONGONG   (Australia)

Author keywords

Chikungunya virus; Molecular docking; Molecular dynamics simulations; Nsp2 protease; Structure based approaches; Virtual screening

Indexed keywords

BINDING ENERGY; BINDING SITES; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR MODELING; SEARCH ENGINES; VIRUSES;

CHIKUNGUNYA; MOLECULAR DOCKING; MOLECULAR DYNAMICS SIMULATIONS; NSP2 PROTEASE; STRUCTURE-BASED; VIRTUAL SCREENING;

CRYSTAL STRUCTURE;

NONSTRUCTURAL PROTEIN 2; PROTEINASE INHIBITOR; LIGAND; VIRUS PROTEIN;

AMINO TERMINAL SEQUENCE; ARTICLE; BINDING AFFINITY; BINDING SITE; CARBOXY TERMINAL SEQUENCE; CHIKUNGUNYA ALPHAVIRUS; CRYSTAL STRUCTURE; DRUG IDENTIFICATION; DRUG SCREENING; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; ANTAGONISTS AND INHIBITORS; CHEMICAL PHENOMENA; CHIKUNGUNYA VIRUS; COMPUTER INTERFACE; ENZYME ACTIVE SITE; METABOLISM; PROTEIN STABILITY; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

CHIKUNGUNYA VIRUS;

CATALYTIC DOMAIN; CHIKUNGUNYA VIRUS; CRYSTALLOGRAPHY, X-RAY; DRUG EVALUATION, PRECLINICAL; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIGANDS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEASE INHIBITORS; PROTEIN STABILITY; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS; USER-COMPUTER INTERFACE; VIRAL NONSTRUCTURAL PROTEINS;

EID: 84921636138     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2015.01.001     Document Type: Article

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