Structural modeling and simulation studies of Brugia malayi glutathione-S-transferase with compounds exhibiting antifilarial activity: Implications in drug targeting and designing

Journal of Molecular Graphics and Modelling

Volumn 28, Issue 5, 2010, Pages 435-445

  Yadav, Marshleen ^a   Singh, Alka ^a   Rathaur, Sushma ^a   Liebau, Eva ^b  

^a BANARAS HINDU UNIVERSITY   (India)

^b UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

Antifilarials; Chalcones; Docking; Glutathione S transferase; Homology Modeling

Indexed keywords

ALBENDAZOLE; ANTIFILARIALS; BINDING AFFINITIES; BINDING POCKETS; CHALCONES; DOCKING SIMULATIONS; DRUG-TARGETING; GLUTATHIONE-S-TRANSFERASE; HOMOLOGY MODELING; HYDROPHILIC RESIDUES; IN-SILICO; INTERACTION SITE; ROOT MEAN SQUARE DEVIATIONS; SELECTIVE INHIBITORS; SIDE CHAINS; STRUCTURAL INFORMATION; STRUCTURAL MODELING; SUBSTRATE-BINDING SITES; TEMPLATE STRUCTURES;

BINDING ENERGY; CHEMOTHERAPY; DETOXIFICATION; DOCKING; ENZYMES; SIMULATORS; SYSTEM THEORY;

BINDING SITES;

ALBENDAZOLE; BUTYLATED HYDROXYANISOLE; CHALCONE DERIVATIVE; DIETHYLCARBAMAZINE; GLUTATHIONE TRANSFERASE;

ARTICLE; BINDING AFFINITY; BINDING SITE; BRUGIA MALAYI; CHEMICAL STRUCTURE; COMPUTER MODEL; DRUG DESIGN; DRUG STRUCTURE; DRUG TARGETING; MODEL; NONHUMAN; PRIORITY JOURNAL; SIMULATION;

AMINO ACID SEQUENCE; ANIMALS; BINDING SITES; BRUGIA MALAYI; CHALCONES; FILARICIDES; GLUTATHIONE TRANSFERASE; MOLECULAR SEQUENCE DATA; PROTEIN BINDING; PROTEIN STRUCTURE, SECONDARY; SEQUENCE HOMOLOGY, AMINO ACID;

BRUGIA MALAYI; NEMATODA;

EID: 71849093559     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2009.10.003     Document Type: Article

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