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machado1

machado1

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ACCOAC

accoa > malcoa

CURS

fercoa + ferdicoa > cur

CUR_t

cur = cur_ext

DCS

fercoa + malcoa > ferdicoa

EX_CUR

cur_ext > ∅

EX_FER

∅ > fer_ext

FER_t

fer_ext = fer

R4CL

fer > fercoa

Synth3

Synthesis 3

accoa > ∅

Synth4

Synthesis 4

malcoa > ∅

vACCOA

ACCOA dilution

accoa = ∅

vALDO

Aldolase

cfdp = cdhap + cgap

vCUR

CUR dilution

cur = ∅

vDAHPS

DAHP synthesis

ce4p + cpep > ∅

vDHAP

DHAP degradation

cdhap = ∅

vE4P

E4P dilution

ce4p = ∅

vENO

Enolase

cpg2 = cpep

vEXTER

Extracellular glucose kinetics

∅ > cglcex

vFER

FER dilution

fer = ∅

vFERCOA

FERCOA dilution

fercoa = ∅

vFERDICOA

FERDICOA dilution

ferdicoa = ∅

vG1PAT

Glucose-1-phosphate adenyltransferase

cg1p > ∅

vG3PDH

Glycerol-3-phosphate dehydrogenase

cdhap > ∅

vG6P

G6P degradation

cg6p = ∅

vG6PDH

Glucose-6-phosphate dehydrogenase

cg6p > cpg

vGAP

GAP degradation

cgap = ∅

vGAPDH

Glyceraldehyde-3-phosphate dehydrogenase

cgap = cpgp

vGLP

GLP dilution

cg1p = ∅

vMALCOA

MALCOA dilution

malcoa = ∅

vMURSyNTH

Mureine synthesis

{2.0}cf6p > ∅

vMethSynth

Methionine synthesis

∅ > cpyr

vPDH

Pyruvate dehydrogenase

cpyr > accoa

vPEP

PEP degradation

cpep = ∅

vPFK

Phosphofructokinase

cf6p > cfdp

vPG

PG dilution

cpg = ∅

vPG3

PG3 degradation

cpg3 = ∅

vPGDH

6-Phosphogluconate dehydrogenase

cpg > cribu5p

vPGI

Glucose-6-phosphate isomerase

cg6p = cf6p

vPGK

Phosphoglycerate kinase

cpgp = cpg3

vPGM

Phosphoglucomutase

cg6p = cg1p

vPGP

PGP degradation

cpgp = ∅

vPK

Pyruvate kinase

cpep > cpyr

vPPK

Ribose phosphate pyrophosphokinase

crib5p > ∅

vPTS

Phosphotransferase system

cglcex + cpep > cg6p + cpyr

vR5PI

Ribose-phosphate isomerase

cribu5p = crib5p

vRIB5P

Rib5P dilution

crib5p = ∅

vRibu5p

Ribu5P dilution

cribu5p = ∅

vRu5P

Ribulose-phosphate epimerase

cribu5p = cxyl5p

vSED7P

SED7P dilution

csed7p = ∅

vSynth1

Synthesis 1

cpep > ∅

vSynth2

Synthesis 2

cpyr > ∅

vTA

Transaldolase

cgap + csed7p = cf6p + ce4p

vTIS

Triosephosphate isomerase

cdhap = cgap

vTKA

Transketolase a

crib5p + cxyl5p = cgap + csed7p

vTKB

Transketolase b

ce4p + cxyl5p = cgap + cf6p

vTRPSYNTH

Tryptophan synthesis

∅ > cpyr + cgap

vXYL5P

XYL5P dilution

cxyl5p = ∅

vf6P

F6P degradation

cf6p = ∅

vfdP

FDP degradation

cfdp = ∅

vpepCxylase

PEP carboxylase

cpep > ∅

vpg2

PG2 degradation

cpg2 = ∅

vpyr

Pyruvate dilution

cpyr = ∅

vrpGluMu

Phosphoglycerate mutase

cpg3 = cpg2

vsersynth

Serine synthesis

cpg3 > ∅

Parameters

Global parameters
ACCOAC
CURS
CUR_t
DCS
EX_FER
FER_t
R4CL
Synth3
Synth4
vALDO
vDAHPS
vENO
vEXTER
vG1PAT
vG3PDH
vG6PDH
vGAPDH
vMURSyNTH
vMethSynth
vPDH
vPFK
vPGDH
vPGI
vPGK
vPGM
vPK
vPPK
vPTS
vR5PI
vRu5P
vSynth1
vSynth2
vTA
vTIS
vTKA
vTKB
vTRPSYNTH
vpepCxylase
vrpGluMu
vsersynth

Fixed species

Initial values

Functions and Rules

Events

Constraints

Note that constraints are not enforced in simulations. It remains the responsibility of the user to verify that simulation results satisfy these constraints.


Species:

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log scales

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x-axis min/max

A kinetic model for curcumin production in Escherichia coli.

  • Daniel Machado
  • Lígia R Rodrigues
  • Isabel Rocha
BioSystems 2014; 125 : 16
Abstract
Curcumin is a natural compound obtained from turmeric, and is well known for its pharmacological effects. In this work, we design a heterologous pathway for industrial production of curcumin in Escherichia coli. A kinetic model of the pathway is then developed and connected to a kinetic model of the central carbon metabolism of E. coli. This model is used for optimization of the mutant strain through a rational design approach, and two manipulation targets are identified for overexpression. Dynamic simulations are then performed to compare the curcumin production profiles of the different mutant strains. Our results show that it is possible to obtain a significant improvement in the curcumin production rates with the proposed mutants. The kinetic model here developed can be an important framework to optimize curcumin production at an industrial scale and add value to its biomedical potential.
The SBML for this model was obtained from the BioModels database (BioModels ID: BIOMD0000000565) Biomodels notes: Figure 4 of the reference paper has been reproduced here. Note that the difference in the y-axis measure is due to the difference in units. The y-axis is in mmol/L in the model, whereas it is in g/L in the paper. The model as such reproduces the Mutant_0 condition. To simulate the Mutant_1 and Mutant_2 condition, do the following. Mutant_1 - set rmaxACCOAC = 0.4634 Mutant_2 - set rmaxACCOAC = 0.4634; rmaxPK = 0.6113150258 JWS Online curation: This model was curated by reproducing the figures as described in the BioModels Notes. No additional changes were made.