(* Generated by JWS Online *) (* This is an experimental feature of JWS Online. Please report any mistakes.*) (* Note that the following notable SBML entities or features are not supported in notebook outputyet: *) (* Events *) (* Constraints *) (* Units and UnitDefinitions *) (* AlgebraicRules *) (* conversionFactors *) variables = { x1[t], x2[t], x3[t], x4[t], x5[t] }; initialValues = { x1[0] == 88.0, x2[0] == 0.0, x3[0] == 0.0, x4[0] == 0.0, x5[0] == 0.0 }; rates = { ABCC2, OATP1B3, bl\[LetterSpace]BSP\[LetterSpace]binding, bl\[LetterSpace]BSP\[LetterSpace]dissoc, cellular\[LetterSpace]BSP\[LetterSpace]binding, cellular\[LetterSpace]BSP\[LetterSpace]dissoc, endo\[LetterSpace]ex\[LetterSpace]ap, endo\[LetterSpace]ex\[LetterSpace]bl, endo\[LetterSpace]in\[LetterSpace]bl, paracell\[LetterSpace]transp }; rateEquations = { ABCC2 -> p2*x3[t], OATP1B3 -> p1*x1[t], bl\[LetterSpace]BSP\[LetterSpace]binding -> p6*x1[t]*(p8 - x2[t]), bl\[LetterSpace]BSP\[LetterSpace]dissoc -> p7*x2[t], cellular\[LetterSpace]BSP\[LetterSpace]binding -> p9*x3[t]*(p11 - x4[t]), cellular\[LetterSpace]BSP\[LetterSpace]dissoc -> p10*x4[t], endo\[LetterSpace]ex\[LetterSpace]ap -> p5*x3[t], endo\[LetterSpace]ex\[LetterSpace]bl -> p4*x3[t], endo\[LetterSpace]in\[LetterSpace]bl -> p3*x1[t], paracell\[LetterSpace]transp -> p12*(x1[t]/basolat - x5[t]/apical) }; parameters = { p1 -> 0.0025, p10 -> 1.6, p11 -> 1000.0, p12 -> 0.0003, p2 -> 0.0784, p3 -> 0.0013, p4 -> 0.0827, p5 -> 0.0091, p6 -> 6.4*^-05, p7 -> 0.0397, p8 -> 1000.0, p9 -> 0.0098, apical -> 1.5, basolat -> 1.0, cell -> 1.0 }; assignments = { BSP\[LetterSpace]cell -> x3[t] + x4[t], BSP\[LetterSpace]tot -> x1[t] + x2[t] + x3[t] + x4[t] + x5[t] }; events = { }; speciesAnnotations = { BSP\[LetterSpace]cell[t]->"http://identifiers.org/kegg.compound/C11363", BSP\[LetterSpace]cell[t]->"http://identifiers.org/chebi/CHEBI:63836", BSP\[LetterSpace]tot[t]->"http://identifiers.org/kegg.compound/C11363", BSP\[LetterSpace]tot[t]->"http://identifiers.org/chebi/CHEBI:63836", x1[t]->"http://identifiers.org/kegg.compound/C11363", x1[t]->"http://identifiers.org/chebi/CHEBI:63836", x2[t]->"http://identifiers.org/kegg.compound/C11363", x2[t]->"http://identifiers.org/chebi/CHEBI:63836", x3[t]->"http://identifiers.org/kegg.compound/C11363", x3[t]->"http://identifiers.org/chebi/CHEBI:63836", x4[t]->"http://identifiers.org/kegg.compound/C11363", x4[t]->"http://identifiers.org/chebi/CHEBI:63836", x5[t]->"http://identifiers.org/kegg.compound/C11363", x5[t]->"http://identifiers.org/chebi/CHEBI:63836" }; reactionAnnotations = { }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { x1'[t] == 1.0*endo\[LetterSpace]ex\[LetterSpace]bl +1.0*bl\[LetterSpace]BSP\[LetterSpace]dissoc -1.0*OATP1B3 -1.0*endo\[LetterSpace]in\[LetterSpace]bl -1.0*bl\[LetterSpace]BSP\[LetterSpace]binding -1.0*paracell\[LetterSpace]transp, x2'[t] == 1.0*bl\[LetterSpace]BSP\[LetterSpace]binding -1.0*bl\[LetterSpace]BSP\[LetterSpace]dissoc, x3'[t] == 1.0*OATP1B3 +1.0*endo\[LetterSpace]in\[LetterSpace]bl +1.0*cellular\[LetterSpace]BSP\[LetterSpace]dissoc -1.0*ABCC2 -1.0*endo\[LetterSpace]ex\[LetterSpace]bl -1.0*endo\[LetterSpace]ex\[LetterSpace]ap -1.0*cellular\[LetterSpace]BSP\[LetterSpace]binding, x4'[t] == 1.0*cellular\[LetterSpace]BSP\[LetterSpace]binding -1.0*cellular\[LetterSpace]BSP\[LetterSpace]dissoc, x5'[t] == 1.0*ABCC2 +1.0*endo\[LetterSpace]ex\[LetterSpace]ap +1.0*paracell\[LetterSpace]transp }; timeCourse = NDSolve[Join[odes, initialValues]//.rateEquations//.assignments//.parameters, variables, {t, 0, 100}]; (* Steady-state solution initialized with result of time evolution *) findRootEquations = odes /.D[_[t],t]->0; findRootVariables = Partition[Flatten[{#, #/.timeCourse/.t->100} &/@variables],2]; steadyStateVariables = FindRoot[findRootEquations//.rateEquations//.assignments//.parameters, findRootVariables, MaxIterations->100] fluxes = #//.assignments//.parameters/.steadyStateVariables&/@rateEquations (* Plot the time evolution of the variables *) plotTable=Table[Plot[variables[[i]]/.parameters/.timeCourse,{t,0,100},PlotLegends->variables[[i]],PlotRange->Full],{i,Length[variables]}]