New Distributed Computing Project: Flu Medicines
The aim of the project is to find new drugs that stop the spread of the influenza virus in the human body. The research is aimed primarily against strains resistant to the action of drugs, as well as new strains not previously encountered in nature (work ahead of the curve). Identification of chemical compounds, potential medicines, will accelerate the emergence of new drugs needed in the fight against seasonal flu outbreaks, future epidemics and even pandemics. There is no need to go far for an example of the relevance of the project – right now the world is afraid of a possible influenza A/H1N1 pandemic.
Every year hundreds of thousands of people die from influenza and related complications in the world. A particularly dangerous strain spreading rapidly among the population could potentially kill millions of lives. The flu virus is changing at such a rate that every year we encounter new varieties of it. Flu vaccines are developed based on the most likely strain in the next season, which does not guarantee the appearance of a completely unexpected variant of the virus. The most effective antiviral drugs available today, such as oseltamivir (oseltamivir, commercial name – Relenza) and zanamivir (zanamivir, or Tamiflu), do not help in all cases, especially since virus strains resistant to their action and the action of other drugs appear. When it becomes known about the appearance of such forms of influenza, drug manufacturers are not always able to quickly release a new vaccine or medicine to the market. Influenza Antiviral Drug Search will try to fill this gap by searching for drug candidates for the treatment of the widest range of possible viral infections.
The key idea of the Influenza Antiviral Drug Search project is to search for chemical compounds that inhibit (block) the key components of the protein envelope of the influenza virus – hemaggutinin (H), neuraminidase (N), NS1 protein and possibly other targets. Using the known chemical structures of these target molecules, the project, with our help, will conduct large-scale computer modeling (molecular docking) to determine which of the millions of known substances can dock with target molecules in such a way as to disrupt their work, preventing the influenza virus from multiplying in the body.
The computational application of the Influenza Antiviral Drug Search project is written on the basis of specialized Autodock software, which is also used in other World Community Grid projects: FightAIDS@Home, Discovering Dengue Drugs – Together and Help Fight Childhood Cancer.
The most promising of the drug candidates found in Influenza Antiviral Drug Search will be sent for additional research in the laboratory and further, up to clinical trials and the release of new drugs.
Portal "Eternal youth" www.vechnayamolodost.ru06.05.2009