Current Computer-Aided Drug Design

Subhash C. Basak
Departments of Chemistry, Biochemistry & Molecular Biology University of Minnesota Duluth
Duluth, MN 55811
USA

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Applications of Docking and Molecular Dynamic Studies on the Search for New Drugs Against the Biological Warfare Agents Bacillus anthracis and Yersinia pestis

Author(s): Tanos Celmar Costa França, Ana Paula Guimarães, Wilian Augusto Cortopassi, Aline Alves Oliveira, Teodorico Castro Ramalho.

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.

Keywords: Biological warfare agents, docking studies, molecular dynamic simulations.

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Article Details

VOLUME: 9
ISSUE: 4
Year: 2013
Page: [507 - 517]
Pages: 11
DOI: 10.2174/15734099113099990033
Price: $58