PC users enlisted in hunt for new HIV/AIDS drugs
Canadian Press

TORONTO — A massive project is harnessing the power of tens of thousands of 
personal computers around the world in a bid to winnow out potential drugs to 
more effectively fight the global scourge of HIV/AIDS. 

A virtual supercomputer grid, created by IBM, will allow individuals and 
businesses to donate down-time on their personal computers via a secure 
website. 

The idle PCs will be used to run millions of computations in the search for 
chemical compounds that could eventually provide more effective HIV therapies, 
the company was to announce Monday. 

"This project was created about a year ago . . . essentially to create a 
virtual supercomputer devoted specifically to humanitarian purposes," said 
Stanley Litow, IBM vice-president for corporate community relations. 

"We've been working over the last year to build the number of PCs that are 
connected and we've also been working on a first research project, analyzing 
all the proteins in the human body," Litow told The Canadian Press from New 
York. 

"But now we are adding this AIDS project. This is brand new to the grid, and 
the idea is to take years off of the research that would be required to find a 
cure for AIDS." 

The project, dubbed FightAIDS(at)Home, involves virtual testing of hundreds of 
thousands of chemical compounds to see how they react to a particular protein 
of the human immunodeficiency virus, or HIV. 

Computations use a 3-D modelling technique, which will show whether chemical 
compound molecules will attach themselves to the much larger HIV protein 
molecule - and exactly where on its structure, said project leader Dr. Arthur 
Olson. 

Olson, a molecular biologist at the non-profit Scripps Research Institute, 
likened the process of seeking the right fit - called "docking" - to an ant 
crawling over a potato, looking for a spot it likes and settling on one of the 
spud's eyes. 

"The idea is if we can find a compound (that fits) into the business end of one 
of the proteins that the virus depends upon, we can kind of gum up the works," 
Olson said from La Jolla, Calif. "We can stop it from functioning and then you 
have a potential drug to fight the virus." 

Compounds that dock well would then be tested in Olson's laboratory to see what 
effect they have on HIV in test-tube and animal research. Promising compounds 
would be published in open-access scientific journals so that other researchers 
could retrieve data for their own experiments. 

"It's like finding a needle in a haystack," Olson conceded. "Most of the trial 
drugs we're trying to dock don't dock very well at all, so what we're really 
looking for is the best of the best." 

The project will also include a search for drug compounds that might work 
against mutated versions of the virus, which render them increasingly resistant 
to current drug therapies. "HIV mutates very, very quickly," he said. 

An estimated 40 million people worldwide are infected with HIV, which killed 
more than three million last year alone, says the United Nations agency UNAIDS. 
An estimated 56,000 Canadians are infected with the virus. 

Sifting through known chemical compounds without a supercomputer would take an 
estimated 100 years, said Litow. With IBM's World Community Grid, the initial 
work to select compounds for drug development should be completed in a year. 

Joining the grid is as simple as downloading special software from 
www.worldcommunitygrid.org (which works with both Windows-and Linux-based 
systems) and leaving the PC powered-up and connected to the Internet. The grid 
program kicks in when the PC isn't in use - whether it's for five minutes, 
overnight or for several days - and shuts down when the owner returns to the 
keyboard. 

"It's actually doing calculations for the AIDS project while you're not using 
it," Litow said. 

Currently, more than 100,000 people are donating time on 170,000 personal 
computers, he noted, but IBM wants to see that number grow. "There are 650 
million PCs in the world, so the more people who participate in this project, 
the more powerful it would be," he said. 

"It doesn't cost you anything to join World Community Grid. So anybody can 
become a philanthropist." 

submitted by Janet Feldman ([EMAIL PROTECTED] )
originally posted by Katie Krauss, Healthgap Listserv
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