Insilico studies on anthrax lethal factor inhibitors: Pharmacophore modeling and virtual screening approaches towards designing of novel inhibitors for a killer

Journal of Molecular Graphics and Modelling

Volumn 29, Issue 2, 2010, Pages 256-265

  Roy, Jyoti ^a   Kumar, Uday Chandra ^a   Machiraju, Pavan Kumar ^a   Muttineni, Ravi Kumar ^a   Suneel Kumar, S B V S ^a   Gundla, Rambabu ^a   Dayam, Raveendra ^a   Sarma, Jagarlapudi A R P ^a  

^a TIE   (India)

Author keywords

Anthrax; Bioweapon; Lethal factor; Pharmacophore; Virtual screening

Indexed keywords

ANTHRAX; BIOWEAPONS; LETHAL FACTOR; PHARMACOPHORES; VIRTUAL SCREENING;

BACTERIOLOGY; CELL DEATH; DOCKING; MOLECULES;

PHARMACODYNAMICS;

HYDROXAMIC ACID; HYDROXYL GROUP; ILOMASTAT; SULFONE; ZINC ION;

ANTHRAX; ARTICLE; BACILLUS ANTHRACIS; BINDING SITE; CELL DEATH; CHEMICAL STRUCTURE; COMPUTER MODEL; DATA BASE; HYDROGEN BOND; HYDROPHOBICITY; IC 50; LETHAL GENE; LINEAR REGRESSION ANALYSIS; MOLECULAR DOCKING; MOLECULAR INTERACTION; NONHUMAN; PHARMACOPHORE; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION; VIRTUAL REALITY;

ANTIGENS, BACTERIAL; ANTITOXINS; BACTERIAL TOXINS; CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; USER-COMPUTER INTERFACE;

BACILLUS ANTHRACIS;

EID: 77956270965     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2010.07.002     Document Type: Article

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