Team:UFMG Brazil/modeling

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Revision as of 01:23, 27 September 2013

TMAO - Modeling

Labels and conventions

C_E: The enzymatic complex formed by TorT+TorS+TMAO, which reacts with TorR

C: intermediate component of the final enzymatic process

P: product of the enzymatic reaction

C_TS: Complex formed by TorT and TorS

C_TSM: Complex formed by TorT+TorS and one molecule of TMAO C_TM: Complex formed by TorT and TMAO

First Modeling

This is the simplest modeling process to be considered in our study. The product of the enzymatic process is collapsed in only one reaction that was placed at equilibrium.

Imposing the equilibrium in the first reaction we have:

The value of Ce is the initial enzyme concentration for the subsequent enzymatic reactions.

Regarding the enzymatic reaction:

The following relation holds E0 = Ce + C. And as usual imposing the steady state condition:

With Ce = E0 - C

Solving for C:

with

.

In conclusion, we find

Second Modeling

It was used the same pattern of reactions as before, but with a standpoint of "essential activation" (the first reaction is no longer considered to equilibrium). Some enzymes need to be activated to bind the substrate. In our case, the enzyme is activated by TorS and the activators are TMAO and TorT. The rate of appearance of product P depends on the concentration of activators. The equation that varies with respect to the previous case is:

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 It was used the same pattern of reactions as before, but with a standpoint of "essential activation" (the first reaction is no longer considered to equilibrium). Some enzymes need to be activated to bind the substrate. In our case, the enzyme is activated by TorS and the activators are TMAO and TorT. The rate of appearance of product P depends on the concentration of activators.
 The equation that varies with respect to the previous case is:
+[[File:eq9a_tmao.png]]
 [[File:eq9_tmao.png]]