Drug absorption/elimination formulas

  • Thread starter Thread starter phoenixthoth
  • Start date Start date
  • Tags Tags
    Formulas
Click For Summary
SUMMARY

The discussion focuses on the mathematical modeling of drug absorption and elimination using differential equations. The key formula presented is \(\frac{dA}{dt}=k_{1}u(k_{2}-t)-k_{3}A(t)\), where \(k_{1}\) represents the absorption rate, \(k_{3}\) the elimination rate, and \(u\) is the unit step function. The peak drug concentration occurs at \(t=k_{2}\), with the peak amount defined as \(A_{peak}=\frac{k_{1}}{k_{3}}(1-e^{-t_{peak}k_{3}})\). Additionally, the half-life \(t_{half}\) is derived from the relationship \(t_{half}=\frac{\log 2+t_{half}k_{3}}{k_{3}}\), allowing for the calculation of \(k_{1}\), \(k_{2}\), and \(k_{3}\) based on observed values.

PREREQUISITES
  • Understanding of differential equations and their applications in pharmacokinetics.
  • Familiarity with the unit step function and its role in modeling time-dependent processes.
  • Knowledge of pharmacokinetic parameters such as peak concentration and half-life.
  • Basic grasp of logarithmic functions and their properties in mathematical modeling.
NEXT STEPS
  • Explore advanced pharmacokinetic modeling techniques using software like MATLAB or R.
  • Study the impact of variable absorption and elimination rates on drug concentration over time.
  • Investigate the pharmacokinetics of specific drugs to apply the discussed formulas in real-world scenarios.
  • Learn about the integration of multiple dosing regimens and their long-term effects on drug levels.
USEFUL FOR

Pharmacologists, biomedical engineers, and researchers in drug development who are interested in mathematical modeling of drug absorption and elimination processes.

phoenixthoth
Messages
1,600
Reaction score
2
let [tex]A[/tex] be the amount of a drug present [tex]t[/tex] units of time after its administration. this amount could be in terms of drug concentration.

the basic assumption i made was that the rate of change of [tex]A[/tex] is the difference between the rate of absorption and the rate of elimination where the rate of absorption is constant until the initial amount administered is gone and the rate of elimination is proportional to the amount present:

[tex]\frac{dA}{dt}=k_{1}u\left( k_{2}-t\right) -k_{3}A\left( t\right)[/tex].

here, [tex]u[/tex] is the unit step function defined so that [tex]u\left( t\right) =1[/tex] if [tex]t\geq 0[/tex] and is 0 otherwise. [tex]k_{1}[/tex] is related to the rate of absorption and [tex]k_{3}[/tex] is related to the rate of elimination. the absorption aspect
remains activated until [tex]t=k_{2}[/tex] which corresponds to when the intitial amount administered runs out.

the solution to this with [tex]A\left( 0\right) =0[/tex] is [tex]A\left( t\right) =\frac{e^{-k_{3}t}k_{1}}{k_{3}}\left( -1+e^{k_{3}t}+\left( e^{k_{2}k_{3}}-e^{k_{3}t}\right) u\left( t-k_{2}\right) \right)[/tex].

it became clear that [tex]A[/tex] must achieve a maximum value when [tex]t=k_{2};[/tex] here, [tex]A^{\prime }[/tex] is undefined whereas otherwise it is nonzero. let [tex]t_{peak}=k_{2}[/tex]. [tex]\ A\left( t_{peak}\right) =\frac{k_{1}}{k_{3}}\left(<br /> 1-e^{-t_{peak}k_{3}}\right)[/tex]; this is the peak amount present. let [tex]A_{peak}=A\left( t_{peak}\right)[/tex].

if we let [tex]t_{half}[/tex] be the element in the set [tex]\left\{ t>t_{peak}:A\left( t\right) =\frac{1}{2}A\left( t_{peak}\right) \right\}[/tex] and solve, we obtain that [tex]t_{half}=\frac{\log 2+t_{half}k_{3}}{k_{3}}[/tex], where the log is the natural log.

now that we know [tex]t_{peak}[/tex], [tex]A_{peak}[/tex], and [tex]t_{half}[/tex] in terms of [tex]k_{1}[/tex], [tex]k_{2}[/tex], and [tex]k_{3}[/tex], we can solve for [tex]k_{1}[/tex], [tex]k_{2}[/tex], and [tex]k_{3}[/tex] to get
[tex]k_{1}=\frac{A_{peak}\log 2}{\left( 2^{\frac{t_{peak}}{t_{peak}-t_{half}}}-1\right) \left( t_{peak}-t_{half}\right) }[/tex]

[tex]k_{2}=t_{peak}[/tex]

[tex]k_{3}=\frac{\log 2}{t_{half}-t_{peak}}[/tex].

putting these together, we get [tex]A\left( t\right) =\frac{A_{peak}\left( 1-2^{\frac{t}{t_{peak}-t_{half}}}+\left( 2^{\frac{t-t_{peak}}{t_{peak}-t_{half}}}-1\right) u\left( t-t_{peak}\right) \right) }{1-2^{\frac{t_{peak}}{t_{peak}-t_{half}}}}[/tex]. the graph of this looks like something of the form [tex]ate^{bt}[/tex] though that formula doesn't allow one to control the time to reach peak absorption, the peak amount, and the half-life which makes sense because it only has two parameters while the defining differential equation for the other formula has three parameters.

one can now construct a sum where the terms added are of the form [tex]A\left(t-kt_{int}\right) u\left( t-kt_{int}\right)[/tex] where [tex]k[/tex] are natural numbers and [tex]t_{int}[/tex] is the fixed time interval in between administrations of the drug though one could, of couse, add things of the form [tex]A\left(t-t_{k}\right) u\left( t-t_{k}\right)[/tex] where [tex]\left[ t_{k},t_{k+1}\right][/tex] are not intervals of constant length. if the intervals are fixed, one can study the long term behavior of the drug.
 
Last edited:
Biology news on Phys.org
Sadly the rate of absorption is not constant nor is the elimination dependent on the amount present. Every drug has a range of properties and interacts with our metabolism differently. There is already a lot of information available about individual drugs.
 

Similar threads

Replies
4
Views
2K
Replies
1
Views
2K
  • · Replies 0 ·
Replies
0
Views
493
  • · Replies 2 ·
Replies
2
Views
2K
  • · Replies 1 ·
Replies
1
Views
3K
Replies
46
Views
8K
  • · Replies 4 ·
Replies
4
Views
2K
Replies
6
Views
4K
  • · Replies 4 ·
Replies
4
Views
1K
  • · Replies 1 ·
Replies
1
Views
2K