Discovery of Mycobacterium tuberculosis α-1,4-glucan branching enzyme (GlgB) inhibitors by structure- And ligand-based virtual screening

Journal of Biological Chemistry

Volumn 290, Issue 1, 2015, Pages 76-89

  Dkhar, Hedwin Kitdorlang ^a   Gopalsamy, Anupriya ^b   Loharch, Saurabh ^a   Kaur, Amandeep ^a   Bhutani, Isha ^a   Saminathan, Kanmani ^b   Bhagyaraj, Ella ^a   Chandra, Vemika ^a   Swaminathan, Kunchithapadam ^b   Agrawal, Pushpa ^a   Parkesh, Raman ^a   Gupta, Pawan ^a  

^a INSTITUTE OF MICROBIAL TECHNOLOGY   (India)

^b NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

BIOCHEMISTRY; ENZYMES; LIGANDS; MOLECULAR STRUCTURE; SCAFFOLDS; VIRTUAL REALITY;

MOLECULAR SCAFFOLDS; MYCOBACTERIUM TUBERCULOSIS; PHARMACOKINETIC PARAMETERS; STRUCTURAL INFORMATION; THERAPEUTIC AGENTS; THREE DIMENSIONAL CHEMICALS; THREE-DIMENSIONAL SHAPE; VIRTUAL SCREENING;

ENZYME INHIBITION;

1,4 ALPHA GLUCAN BRANCHING ENZYME; ANTIINFECTIVE AGENT; GLYCOSYLTRANSFERASE INHIBITOR; IMT 004; IMT 007; IMT 009; IMT 012; IMT 014; IMT 017; IMT 021; IMT 025; IMT 029; ISONIAZID; MBI 6695; UNCLASSIFIED DRUG; 1,4-GLUCAN; BACTERIAL PROTEIN; GLUCAN; LIGAND; MOLECULAR LIBRARY; RECOMBINANT PROTEIN; TUBERCULOSTATIC AGENT;

ANTIBACTERIAL ACTIVITY; ARTICLE; BACTERIAL GROWTH; BACTERIAL SURVIVAL; CELL DIFFERENTIATION; CONCENTRATION RESPONSE; CONTROLLED STUDY; DRUG STRUCTURE; ENZYME ACTIVITY; ENZYME INHIBITION; ENZYME STRUCTURE; GROWTH INHIBITION; HIGH THROUGHPUT SCREENING; HIGH THROUGHPUT VIRTUAL SCREENING; HUMAN; HUMAN CELL; IN VITRO STUDY; MINIMUM INHIBITORY CONCENTRATION; MOLECULAR DOCKING; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PHAGOCYTOSIS; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; THREE DIMENSIONAL IMAGING; ANTAGONISTS AND INHIBITORS; CELL LINE; CHEMISTRY; COMPUTER INTERFACE; DRUG DATABASE; DRUG DEVELOPMENT; DRUG EFFECTS; ENZYMOLOGY; ESCHERICHIA COLI; GENE EXPRESSION; GENETICS; GROWTH, DEVELOPMENT AND AGING; MACROPHAGE; METABOLISM; MICROBIAL SENSITIVITY TEST; MICROBIOLOGY; MOLECULAR LIBRARY; PHARMACOLOGY; PROTEIN DATABASE; STRUCTURAL HOMOLOGY;

MYCOBACTERIUM TUBERCULOSIS;

1,4-ALPHA-GLUCAN BRANCHING ENZYME; ANTITUBERCULAR AGENTS; BACTERIAL PROTEINS; CELL LINE; DATABASES, PHARMACEUTICAL; DATABASES, PROTEIN; DRUG DISCOVERY; ESCHERICHIA COLI; GENE EXPRESSION; GLUCANS; HIGH-THROUGHPUT SCREENING ASSAYS; HUMANS; LIGANDS; MACROPHAGES; MICROBIAL SENSITIVITY TESTS; MOLECULAR DOCKING SIMULATION; MYCOBACTERIUM TUBERCULOSIS; PHAGOCYTOSIS; RECOMBINANT PROTEINS; SMALL MOLECULE LIBRARIES; STRUCTURAL HOMOLOGY, PROTEIN; STRUCTURE-ACTIVITY RELATIONSHIP; USER-COMPUTER INTERFACE;

EID: 84920520297     PISSN: 00219258     EISSN: 1083351X     Source Type: Journal    
DOI: 10.1074/jbc.M114.589200     Document Type: Article

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