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| Content Provider | Directory of Open Access Journals (DOAJ) |
|---|---|
| Author | Thomas eEissing Lars eKuepfer Corina eBecker Michael eBlock Katrin eCoboeken Thomas eGaub Linus eGoerlitz Juergen eJaeger Roland eLoosen Bernd eLudewig Michaela eMeyer Christoph eNiederalt Michael eSevestre Hans-Ulrich eSiegmund Juri eSolodenko Kirstin eThelen Ulrich eTelle Wolfgang eWeiss Thomas eWendl Stefan eWillmann Joerg eLippert |
| Abstract | Today, in silico studies and trial simulations already complement experimental approaches in pharmaceutical R&D and have become indispensable tools for decision making and communication with regulatory agencies. While biology is multi-scale by nature, project work and software tools usually focus on isolated aspects of drug action, such as pharmacokinetics at the organism scale or pharmacodynamic interaction on the molecular level. We present a modeling and simulation software platform consisting of PK-Sim® and MoBi® capable of building and simulating models that integrate across biological scales. A prototypical multiscale model for the progression of a pancreatic tumor and its response to pharmacotherapy is constructed and virtual patients are treated with a prodrug activated by hepatic metabolization. Tumor growth is driven by signal transduction leading to cell cycle transition and proliferation. Free tumor concentrations of the active metabolite inhibit Raf kinase in the signaling cascade and thereby cell cycle progression. In a virtual clinical study, the individual therapeutic outcome of the chemotherapeutic intervention is simulated for a large population with heterogeneous genomic background. Thereby, the platform allows efficient model building and integration of biological knowledge and prior data from all biological scales. Experimental in vitro model systems can be linked with observations in animal experiments and clinical trials. The interplay between patients, diseases, and drugs and topics with high clinical relevance such as the role of pharmacogenomics, drug-drug or drug-metabolite interactions can be addressed using this mechanistic, insight driven multiscale modeling approach. |
| e-ISSN | 1664042X |
| DOI | 10.3389/fphys.2011.00004 |
| Journal | Frontiers in Physiology |
| Volume Number | 2 |
| Language | English |
| Publisher | Frontiers Media S.A. |
| Publisher Date | 2011-01-01 |
| Publisher Place | Switzerland |
| Access Restriction | Open |
| Subject Keyword | Physiology Pbpk Simulation Modeling Signal Transduction Software Systems Biology |
| Content Type | Text |
| Resource Type | Article |
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