Introduction to Bioinformatics - Biol 591

 

SCENARIO
Weak link sought in metabolism of deadly parasite
Computer search for miracle drug against sleeping sickness

Save money by spending electrons?
Glycolysis... there's probably no pathway of which we no more. The kinetic constants of each of T. brucei's glycolytic enzymes are all well known. Perhaps it is possible to perform virtual experiments, simulating the pathway in the computer and inhibiting each enzyme in turn to see which inhibition would have the greatest effect on ATP levels and hence on the growth of T. brucei.

This approach entails programming for each reaction a differential equation, which collectively predict how the current chemical state will lead to the next an infinitesimal moment in the future. If the model is accurate, then calculating this virtual reality, moment by moment, should yield a valid prediction of the end result of inhibiting a certain enzyme.Then, real world experiments (and scarce real world resources) can be focused on the enzyme that proves to be T. brucei's weakest link.

IS VIRTUAL METABOLIC EXPERIMENTATION MORE THAN A FANTASY?

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