title: Applications of docking and molecular dynamic studies on the search for new drugs against the biological warfare agents Bacillus anthracis and Yersinia pestis.
abstract: The fear of biological warfare agents (BWA) use by terrorists is the major concern of the security agencies and health authorities worldwide today. The non-existence of vaccines or drugs against most BWA and the possibility of genetic modified strains has turned the search for new drugs to a state of urgency. Fast in silico techniques are, therefore, perfect tools for this task once they can quickly provide structures of several new lead compounds for further experimental work. Here we try to present a mini-review on docking and molecular dynamics simulations studies applied to the drug design against the BWA Bacillus anthracis and Yersinia pestis.
authors.forename: Tanos Celmar Costa
authors.initials: TC
authors.lastname: França
authors.forename: Ana Paula
authors.initials: AP
authors.lastname: Guimarães
authors.forename: Wilian Augusto
authors.initials: WA
authors.lastname: Cortopassi
authors.forename: Aline Alves
authors.initials: AA
authors.lastname: Oliveira
authors.affiliation: Laboratory of Molecular Modeling Applied to the Chemical and Biological Defense (LMCBD), Military Institute of Engineering, 22290-270, Rio de Janeiro, RJ, Brazil. tanos@ime.eb.br.
authors.forename: Teodorico Castro
authors.initials: TC
authors.lastname: Ramalho
mesh_terms: D000818:Animals; D000881:Anthrax / Q000517:prevention & control; D001408:Bacillus anthracis / Q000302:isolation & purification; D054045:Biological Warfare Agents; D015195:Drug Design; D006801:Humans; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D010930:Plague / Q000517:prevention & control; D015010:Yersinia pestis / Q000302:isolation & purification
chemical_list: D054045:Biological Warfare Agents