Docking of noncompetitive inhibitors into dengue virus type 2 protease: Understanding the interactions with allosteric binding sites

Journal of Chemical Information and Modeling

Volumn 48, Issue 8, 2008, Pages 1582-1591

  Othman, Rozana ^a   Kiat, Tan Siew ^c   Khalid, Norzulaani ^b   Yusof, Rohana ^a   Newhouse, E Irene ^d   Newhouse, James S ^e   Alam, Masqudul ^d   Rahman, Noorsaadah Abdul ^a  

^a UNIVERSITY OF MALAYA   (Malaysia)

^b UNIVERSITY OF MALAYA   (Malaysia)

^c SUNWAY UNIVERSITY   (Malaysia)

^d UNIVERSITY OF HAWAII   (United States)

^e Maui High Performance Computing Center   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBONYL COMPOUNDS; LIGANDS; VIRUSES;

AUTOMATED DOCKING; BACKBONE CARBONYL; CATALYTIC TRIAD; H-BONDING INTERACTION; INHIBITORY ACTIVITY; STRUCTURAL INFORMATION; STRUCTURE ACTIVITY RELATIONSHIPS; THERAPEUTIC DRUGS;

BINDING SITES;

LIGAND; PEPTIDE HYDROLASE; PROTEINASE INHIBITOR;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; DENGUE VIRUS; DRUG EFFECT; ENZYMOLOGY; METABOLISM; STRUCTURE ACTIVITY RELATION;

ALLOSTERIC SITE; DENGUE VIRUS; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PEPTIDE HYDROLASES; PROTEASE INHIBITORS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 52049104700     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci700388k     Document Type: Article

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