Computational analysis of human OGA structure in complex with PUGNAc and NAG-thiazoline derivatives

Journal of Chemical Information and Modeling

Volumn 52, Issue 10, 2012, Pages 2775-2783

  Alencar, Nelson Alberto N De ^a   Sousa, Paulo Robson M ^a   Silva, José Rogério A ^a   Lameira, Jerônimo ^a   Alves, Cláudio Nahum ^a   Martí, Sergio ^b   Moliner, Vicent ^b  

^a FEDERAL UNIVERSITY OF PARÁ   (Brazil)

^b UNIVERSITAT JAUME I   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM COMPOUNDS; AMINO ACIDS; BINDING ENERGY; MOLECULAR DYNAMICS; NEURODEGENERATIVE DISEASES; PROTEINS;

CLOSTRIDIUM PERFRINGENS; COMPUTATIONAL ANALYSIS; LINEAR INTERACTION ENERGIES (LIE); MOLECULAR DYNAMICS SIMULATIONS; MULTICELLULAR EUKARYOTES; NUCLEOCYTOPLASMIC PROTEINS; POST-TRANSLATIONAL MODIFICATIONS; THIAZOLINE DERIVATIVES;

FREE ENERGY;

BACTERIAL PROTEIN; BETA N ACETYLHEXOSAMINIDASE; CARBAMIC ACID DERIVATIVE; DRUG DERIVATIVE; HEXOSAMINIDASE C; ISOENZYME; LIGAND; N ACETYLGLUCOSAMINE; N ACETYLGLUCOSAMINE THIAZOLINE; N ACETYLGLUCOSAMINONO 1,5 LACTONE O (PHENYLCARBAMOYL)OXIME; N-ACETYLGLUCOSAMINE THIAZOLINE; N-ACETYLGLUCOSAMINONO-1,5-LACTONE O-(PHENYLCARBAMOYL)OXIME; OXIME; THIAZOLE DERIVATIVE;

ARTICLE; BACTEROIDES; BINDING SITE; CHEMISTRY; CLOSTRIDIUM PERFRINGENS; DRUG ANTAGONISM; ENZYMOLOGY; HUMAN; KINETICS; MOLECULAR DOCKING; PROTEIN BINDING; PROTEIN CONFORMATION; STRUCTURAL HOMOLOGY; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

ACETYLGLUCOSAMINE; BACTERIAL PROTEINS; BACTEROIDES; BETA-N-ACETYLHEXOSAMINIDASES; BINDING SITES; CLOSTRIDIUM PERFRINGENS; CRYSTALLOGRAPHY, X-RAY; HUMANS; ISOENZYMES; KINETICS; LIGANDS; MOLECULAR DOCKING SIMULATION; OXIMES; PHENYLCARBAMATES; PROTEIN BINDING; PROTEIN CONFORMATION; STRUCTURAL HOMOLOGY, PROTEIN; THERMODYNAMICS; THIAZOLES;

EID: 84867823330     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2006005     Document Type: Article

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