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Table 3 In vitro experiment conditions

From: An integrated pharmacokinetics ontology and corpus for text mining

Experimental Conditions:

Drugs

Substrate, metabolite, and inhibitor/inducer

FDA Drug Interaction Guidance, 2006

Metabolism Enzymes

Buffer

Salt composition

 

EDTA concentration

MgCl2 concentration Cytochrome b5 concentration

 

NADPH source

Concentration of exogenous NADPH added isocytrate dehydrogenase + NADP

 

protein

Non-recombinant enzymes

Microsomes (human liver microsomes, human intestine microsomes, S9 fraction, cytosol, whole cell lysate, hepatocytes)

 

Recombinant enzymes

Enzyme name

mg/mL or uM

 

genotype

  

Transporters

Bi-Directional

CHO; Caco-2 cells; HEK-293; Hepa-RG; LLC; LLC-PK1 MDR1 cells; MDCK; MDCK-MDR1 cells; Suspension Hepatocyte

 

Transport

 

Uptake/efflux

tumor cells, cDNA transfected cells, oocytes injected with cRNA of transporters

 

ATPase

membrane vesicles from various tissues or cells expressing P-gp, Reconstituted P-gp

 

Other factors

Pre-incubation time

 

Incubation time

 

Quantification methods

HPLC/UV, LC/MS/MS, LC/MS, radiographic

 

Sample size

 
 

Data Analysis

log-linear regression, plotting; and nonlinear regression

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