Molecular Modeling of T. rangeli, T. brucei gambiense, and T. evansi Sialidases in Complex with the DANA Inhibitor

Chemical Biology and Drug Design

Volumn 80, Issue 1, 2012, Pages 114-120

  Lima, Anderson H ^a   Souza, Paulo R M ^a   Alencar, Nelson ^a   Lameira, Jerônimo ^a   Govender, Thavendran ^b   Kruger, Hendrik G ^b   Maguire, Glenn E M ^b   Alves, Cláudio N ^a  

^a FEDERAL UNIVERSITY OF PARÁ   (Brazil)

^b UNIVERSITY OF KWAZULU NATAL   (South Africa)

Author keywords

Homology modeling; Molecular dynamics; QM MM; Sialidases; Trypanosoma

Indexed keywords

2 DEOXY 2,3 DIDEHYDRO N ACETYLNEURAMINIC ACID INHIBITOR; ANTITRYPANOSOMAL AGENT; N ACETYL 2,3 DIDEHYDRO 2 DEOXYNEURAMINIC ACID; N ACETYLNEURAMINIC ACID; SIALIDASE; SIALIDASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; CRYSTALLOGRAPHY; DRUG PROTEIN BINDING; ENZYME STRUCTURE; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; NONHUMAN; NUCLEOTIDE SEQUENCE; PRIORITY JOURNAL; PROTEIN FOLDING; STRUCTURAL HOMOLOGY; TRYPANOSOMA BRUCEI; TRYPANOSOMA EVANSI; TRYPANOSOMA GAMBIENSE; TRYPANOSOMA RANGELI;

AMINO ACID SEQUENCE; BINDING SITES; ENZYME INHIBITORS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; N-ACETYLNEURAMINIC ACID; NEURAMINIDASE; PROTEIN STRUCTURE, TERTIARY; QUANTUM THEORY; TRYPANOSOMA; TRYPANOSOMA BRUCEI BRUCEI; TRYPANOSOMA CRUZI;

TRYPANOSOMA; TRYPANOSOMA BRUCEI; TRYPANOSOMA BRUCEI GAMBIENSE; TRYPANOSOMA EVANSI; TRYPANOSOMA RANGELI;

EID: 84862126941     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2012.01380.x     Document Type: Article

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