New York: IBM's TJ Watson Research Centre and University of Edinburgh on Thursday announced a five-year joint research project to use supercomputing simulations combined with lab experiments to speed the design of drugs aimed at inhibiting infection by the HIV virus.<!--more-->

The project includes powerful computing technology, including IBM's Blue Gene supercomputer, combined with new experimental characterisation aimed at targeting the infection process itself by designing inhibitors for the part of the virus responsible for allowing the virus' genetic material to enter the human cell.

Researchers from both the organisation are collaborating to design simultaneously multiple inhibitors, thereby preventing the cagey virus from mutating and thereby invalidating the drug therapy as it does with single inhibitors.

University of Edinburgh's School of Physics Researcher Jason Crain said that early results are promising, showing that computers can be used to simulate which molecules can stop the HIV virus from infecting humans, which drug makers could then use to more rapidly develop those drugs.

"This is a new approach to drug design—we are using sophisticated algorithms coupled with experimental techniques to design improved molecular therapies, and we can capitalise on enormous computing power to do this efficiently and rationally," Crain said.

The project would focus on how the human HIV-1 virus attaches to cells in the body and injects its genetic material.

Researchers are examining a fragment of the surface protein (peptide) of the virus, which is crucial in stimulating the body's immune response to viral attack.

Understanding the structure and behaviour of the peptide will allow for multiple drugs to be designed simultaneously capable of targeting the infection process, IBM stated.

"By combining the experimental research of University of Edinburgh and the simulation capabilities of the world's most powerful supercomputer, IBM's Blue Gene, we just might get much closer to find a vaccine for the HIV virus," IBM Researcher Glenn Martyna said.

In partnership with IBM, University of Edinburgh uses new atomistic simulation methods and software run on IBM massively parallel BlueGene/L supercomputer, in conjunction with high accuracy experimental techniques to probe the properties of amino acids and small peptides, the building blocks of proteins.

Meanwhile, in another initiative dedicated to the global fight against HIV, IBM's Haifa Research Laboratories and a group of European partners last year developed an integrated system for anti-HIV treatment called EUResist.

Enabled by the integration of comprehensive databases, advanced data analytics and prediction tools, the system can forecast how genetic HIV variants will respond to specific antiretroviral treatments.

It can therefore help doctors to choose the most effective drugs and drug combinations for their HIV patients.
—iGovernment Bureau