ArticlePharmaceutical research2007
An in silico transwell device for the study of drug transport and drug-drug interactions.
Article in Pharmaceutical research, 2007. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
What it found
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
5 citing papers in PubMed.
- In silico drug absorption tract: An agent-based biomimetic model for human oral drug absorption.PloS one · 2018Article
- An Agent-Based Approach to Dynamically Represent the Pharmacokinetic Properties of Baicalein.The AAPS journal · 2016Article
- Modeling bioavailability to organs protected by biological barriers.In silico pharmacology · 2013Review
- At the biological modeling and simulation frontier.Pharmaceutical research · 2009Review
- Modeling and simulation of hepatic drug disposition using a physiologically based, multi-agent in silico liver.Pharmaceutical research · 2008Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
purposeValidate and exemplify a discrete, componentized, in silico, transwell device (ISTD) capable of mimicking the in vitro passive transport properties of compounds through cell monolayers. Verify its use for studying drug-drug interactions.
methodsWe used the synthetic modeling method. Specialized software components represented spatial and functional features including cell components, semi-porous tight junctions, and metabolizing enzymes. Mobile components represented drugs. Experiments were conducted and analyzed as done in vitro.
resultsVerification experiments provided data analogous to those in the literature. ISTD parameters were tuned to simulate and match in vitro urea transport data; the objects representing tight junction (effective radius of 6.66 A) occupied 0.066% of the surface area. That ISTD was then tuned to simulate pH-dependent, in vitro alfentanil transport properties. The resulting ISTD predicted the passive transport properties of 14 additional compounds, individually and all together in one in silico experiment. The function of a two-site enzymatic component was cross-validated with a kinetic model and then experimentally validated against in vitro benzyloxyresorufin metabolism data. Those components were used to exemplify drug-drug interaction studies.
conclusionsThe ISTD is an example of a new class of simulation models capable of realistically representing complex drug transport and drug-drug interaction phenomena.
Indexed as
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17703347What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.