Journal article
Multiscale modelling of drug mechanism and safety.
- Zhang JD Pharma Early Research and Development, Roche Innovation Center Basel, F. Hoffmann-La Roche, Grenzacherstrasse 124, 4070 Basel, Switzerland; University of Basel, Department of Mathematics and Computer Science, Spiegelgasse 1, 4051 Basel, Switzerland. Electronic address: jitao_david.zhang@roche.com.
- Sach-Peltason L Pharma Early Research and Development, Roche Innovation Center Basel, F. Hoffmann-La Roche, Grenzacherstrasse 124, 4070 Basel, Switzerland.
- Kramer C Pharma Early Research and Development, Roche Innovation Center Basel, F. Hoffmann-La Roche, Grenzacherstrasse 124, 4070 Basel, Switzerland.
- Wang K Pharma Early Research and Development, Roche Innovation Center Basel, F. Hoffmann-La Roche, Grenzacherstrasse 124, 4070 Basel, Switzerland.
- Ebeling M Pharma Early Research and Development, Roche Innovation Center Basel, F. Hoffmann-La Roche, Grenzacherstrasse 124, 4070 Basel, Switzerland.
- 2020-01-04
Published in:
- Drug discovery today. - 2020
English
Here, we introduce models at three levels-molecular level, cellular and omics level, and organ and system level-that study drug mechanism and safety in preclinical drug discovery. The models differ in both their scope of study and technical details, but are all rooted in mathematical descriptions of complex biological systems, and all require informatics tools that handle large-volume, heterogeneous, and noisy data. We present principles and recent developments with examples at each level and highlight the synergy by a case study. We proffer a multiscale modelling view of drug discovery, call for a seamless flow of information in the form of models, and examine potential impacts.
- Language
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- English
- Open access status
- hybrid
- Identifiers
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- DOI 10.1016/j.drudis.2019.12.009
- PMID 31899257
- Persistent URL
- https://folia.unifr.ch/global/documents/93574
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