Supercomputer helps design drugs faster

April 8th, 2008 - 2:43 pm ICT by admin  

Sydney, April 8 (IANS) A supercomputer is helping speed up the design of new drugs manifold, doing away with cumbersome, time-consuming procedures. The results are as accurate as those obtained from the lab, saving time and resources, besides calculating the desired ‘redox’ potential of drugs much faster than existing methods.

The ‘redox’ potential is the ability of drug molecules to exchange electrons, which determine how powerfully they can act on the body, said researcher Mansoor Namazian of Australian National University (ANU).

The research group used vitamin P, also known as Rutin with many known bioactivities, to demonstrate their method, reports Sciencedaily.

“The ability to get such excellent agreement between theoretical and experimental results using vitamin P,” said research leader Michelle Coote of the ANU, “demonstrates the power of this new method and also the potential for making drug discovery more targeted”.

The results for Rutin as well and for other anti-cancer agents have been published in Biophysical Chemistry.

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