Structure-based pharmacophore modeling and virtual screening to identify novel inhibitors for anthrax lethal factor

Medicinal Chemistry Research

Volumn 23, Issue 8, 2014, Pages 3725-3732

  Liao, Huang Sheng ^a   Liu, Hsuan Liang ^a   Chen, Wei Hsi ^b   Ho, Yih ^c  

^a NATIONAL TAIPEI UNIVERSITY OF TECHNOLOGY   (Taiwan)

^b INSTITUTE OF NUCLEAR ENERGY RESEARCH   (Taiwan)

^c TAIPEI MEDICAL UNIVERSITY   (Taiwan)

Author keywords

Anthrax lethal factor; Gunner Henry score; MD simulations; Pharmacophore model; Virtual screening

Indexed keywords

ANTHRAX LETHAL FACTOR INHIBITOR; ANTIINFECTIVE AGENT; ILOMASTAT; UNCLASSIFIED DRUG;

ANTHRAX; ARTICLE; BINDING AFFINITY; CRYSTAL STRUCTURE; DRUG SCREENING; GUNNER HENRY SCORE; HYDROGEN BOND; HYDROPHOBICITY; LETHAL GENE; MODEL; MOLECULAR DOCKING; PHARMACOPHORE; SCORING SYSTEM; SIMULATION; STRUCTURE ACTIVITY RELATION; VALIDATION STUDY;

EID: 84904418447     PISSN: 10542523     EISSN: 15548120     Source Type: Journal    
DOI: 10.1007/s00044-014-0947-7     Document Type: Article

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