bi bi reaction Theorell-Chance mechanism (ODE model)

Community: MathModDB

mathematical model

Available identifiers

MaRDI QIDQ6675351

bi bi reaction model following a Theorell-Chance mechanism, named after Britton Chance, Hugo Theorell

Description

Ordinary differential equations for the rates of change of all chemical species (substrate 1 and 2, enzyme, enzyme - substrate 1 - complex, enzyme - product 2 - complex, product 1 and 2) in a Bi Bi Reaction following the Theorell-Chance Mechanism. kᵢ with positive or negative i represents the rate constant of the forward- or backward-reaction i-th reaction step.

List of contained entities

bi bi reaction Theorell-Chance mechanism ODE system	$\begin{matrix} \frac{d c_{S_{1}}}{d t} & = & k_{- 1} c_{E S_{1}} - k_{1} c_{E} c_{S_{1}} \\ \frac{d c_{S_{2}}}{d t} & = & k_{- 2} c_{E P_{2}} c_{P_{1}} - k_{2} c_{E S_{1}} c_{S_{2}} \\ \frac{d c_{P_{1}}}{d t} & = & k_{2} c_{E S_{1}} c_{S_{2}} - k_{- 2} c_{E P_{2}} c_{P_{1}} \\ \frac{d c_{P_{2}}}{d t} & = & k_{3} c_{E P_{2}} - k_{- 3} c_{E} c_{P_{2}} \\ \frac{d c_{E S_{1}}}{d t} & = & k_{1} c_{E} c_{S_{1}} + k_{- 2} c_{E P_{2}} c_{P_{1}} - k_{- 1} c_{E S_{1}} - k_{2} c_{E S_{1}} c_{S_{2}} \\ \frac{d c_{E P_{2}}}{d t} & = & k_{2} c_{E S_{1}} c_{S_{2}} + k_{- 3} c_{E} c_{P_{2}} - k_{- 2} c_{E P_{2}} c_{P_{1}} - k_{3} c_{E P_{2}} \\ \frac{d c_{E}}{d t} & = & k_{- 1} c_{E S_{1}} + k_{3} c_{E P_{2}} - k_{1} c_{E} c_{S_{1}} - k_{- 3} c_{E} c_{P_{2}} \end{matrix}$
	$\frac{d c_{E P_{2}}}{d t}$ represents reaction rate of enzyme - product 2 complex
	$\frac{d c_{E S_{1}}}{d t}$ represents reaction rate of enzyme - substrate 1 complex
	$\frac{d c_{E}}{d t}$ represents reaction rate of enzyme
	$\frac{d c_{P_{1}}}{d t}$ represents reaction rate of product 1
	$\frac{d c_{P_{2}}}{d t}$ represents reaction rate of product 2
	$\frac{d c_{S_{1}}}{d t}$ represents reaction rate of substrate 1
	$\frac{d c_{S_{2}}}{d t}$ represents reaction rate of substrate 2
	$c_{E P_{2}}$ represents enzyme - product 2 complex concentration
	$c_{E S_{1}}$ represents enzyme - substrate 1 complex concentration
	$c_{E}$ represents enzyme concentration
	$c_{P_{1}}$ represents product 1 concentration
	$c_{P_{2}}$ represents product 2 concentration
	$c_{S_{1}}$ represents substrate 1 concentration
	$c_{S_{2}}$ represents substrate 2 concentration
	$k_{- 1}$ represents reaction rate constant
	$k_{- 2}$ represents reaction rate constant
	$k_{- 3}$ represents reaction rate constant
	$k_{1}$ represents reaction rate constant
	$k_{2}$ represents reaction rate constant
	$k_{3}$ represents reaction rate constant
	$t$ represents time

enzyme conservation	$c_{E_{0}} = c_{E} + c_{E X}$
	$c_{E X}$ represents complexed enzyme concentration
	$c_{E_{0}}$ represents enzyme concentration
	$c_{E}$ represents enzyme concentration

initial enzyme - product 2 - complex concentration (bi bi reaction Theorell-Chance - ODE model)	$c_{E P_{2}} (t = 0) = c_{{E P_{2}}_{0}}$	initial condition
	$c_{E P_{2}}$ represents concentration
	$t$ represents time

initial enzyme - substrate 1 - complex concentration (bi bi reaction Theorell-Chance - ODE model)	$c_{E S_{1}} (t = 0) = c_{{E S_{1}}_{0}}$	initial condition
	$c_{E S_{1}}$ represents concentration
	$t$ represents time

initial enzyme concentration (bi bi reaction Theorell-Chance - ODE model)	$c_{E} (t = 0) = c_{E_{0}}$	initial condition
	$c_{E}$ represents concentration
	$t$ represents time

initial product 1 concentration (bi bi reaction Theorell-Chance - ODE model)	$c_{P_{1}} (t = 0) = c_{P_{1, 0}}$	initial condition
	$c_{P_{1}}$ represents concentration
	$t$ represents time

initial product 2 concentration (bi bi reaction Theorell-Chance - ODE model)	$c_{P_{2}} (t = 0) = c_{P_{2, 0}}$	initial condition
	$c_{P_{2}}$ represents concentration
	$t$ represents time

initial substrate 1 concentration (bi bi reaction Theorell-Chance - ODE model)	$c_{S_{1}} (t = 0) = c_{S_{1, 0}}$	initial condition
	$c_{S_{1}}$ represents concentration
	$t$ represents time

initial substrate 2 concentration (bi bi reaction Theorell-Chance - ODE model)	$c_{S_{2}} (t = 0) = c_{S_{2, 0}}$	initial condition
	$c_{S_{2}}$ represents concentration
	$t$ represents time

law of mass action	$v = k \prod_{i = 1}^{n} c_{i}$
	$c_{i}$ represents concentration
	$k$ represents reaction rate constant
	$n$ represents molecularity
	$v$ represents reaction rate

mass balance	$δ_{t} + \nabla F = 0$

List of computational tasks

parameter estimation of enzyme kinetics
sensitivity analysis of complex kinetic systems
simulation of complex kinetic systems

Mathematical models specializing bi bi reaction Theorell-Chance mechanism (ODE model)

bi bi reaction Theorell-Chance mechanism Michaelis Menten model with product 1 (steady state assumption)	assumes	steady state assumption
bi bi reaction Theorell-Chance mechanism Michaelis Menten model with product 2 (steady state assumption)	assumes	steady state assumption
bi bi reaction Theorell-Chance mechanism Michaelis Menten model with products 1 and 2 (steady state assumption)	assumes	steady state assumption
bi bi reaction Theorell-Chance mechanism Michaelis Menten model without products (steady state assumption)	assumes	steady state assumption

Further items linking to bi bi reaction Theorell-Chance mechanism (ODE model)

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