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The following message was posted to: PharmPK
Dear All,
I'm currently predicting oral absorption through compartmental
modelling.
I'm trying to find details of the microscopic rate constants for as
many drugs as I can.
I know this is a commonly asked question, but it would save me hours
and days of searching if someone can point me
in the right direction for some values of the microscopic rate
constants (k12,k21 etc etc along with compartment volumes for the PK
compartments).
I have some, but it's a hard job trying to find such data in the lit.
so any help would be appreciated!
Raj Kumar Badhan
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Hello Raj,
If I understand your needs correctly, it is not likely that anyone
has compiled a database of compartment microconstants for a large
number drugs. Even if someone has done so, correlating this info
with molecular structure/size, lipophilicity parameters etc. is quite
an endeavor.
If you offer some more insight into your data mining efforts (i.e.,
what you mean by "you are predicting oral absorption"), we might be
able to help.
Cheers,
Shawn D. Spencer, Ph.D., R.Ph.
Assistant Professor of Biopharmaceutics and Pharmacokinetics
College of Pharmacy and Pharmaceutical Sciences
Florida A&M University
Tallahassee, FL 32311
shawn.spencer.aaa.famu.edu
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Dear Raj Kumar Badhan,
I am doing some work on ADME in silico. Maybe, you want to
predict these constant using QSPR. I found there are 300 drugs PK
parameters in a PK & biopharmaceutics book. But the book is in
Chinese.You can try the pharmacokinetics & biopharmaceutics book to
find what you want.
I do not find such a database.
Ma Guangli
Ph.d. Candidate
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The following message was posted to: PharmPK
Dear Raj,
Your question is interesting as I havn't heard of some values for micro
constants. Could you please be clearer?
Well if you are talking of giving an initial estimate for micro
constants to the model for fitting your data, then you may have to do it
by curve stripping etc. I give an initial estimate for volume from my
data (Dose/Co from IV data).
I guess the group can help if you are clearer with your question,
cheers,
Jagannath
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Res Sir/Madam;
here im sending a basic query on calculating the pharmacokinetic
parameter in bioequivalence study.
first know about all parameters 1)Cmax 2)Tmax 3)AUCo-t 4)AUCo-inf 5)
Kele 6)t1/2
i want to solve Kele means elimination rate constant.or in detail
Kele-Appear first-order elimination or terminal rate constant
calculated from semi-log plot of the plasma concentration versus time
curve.the parameter is calculated by the linear least square
regression analysis using the three (or more) non zero plasma
concentration.
formula for Kele=(LnC1 - LnC2)/T2-T1
where C1 & C2 are first & last nonzero concentration point in
elimination phase.and T1&T2 are respective time point of C1& C2.
Q1.How can we consider exact C1 & C2?
Q2.What is the detailed procedure for calculation of Kele?
Q3.What is the linear least square regression analysis method? i want
this method with example.
please guide me.
thank you
sushil kale
[Have a look at http://www.boomer.org/c/p4/ chapter 4 for info about
the calculation of kel. http://www.boomer.org/c/p3/ has some
information about non linear regression in a number of chapters - db]
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