On the Integration of In Silico Drug Design Methods for Drug Repurposing
Drug repurposing has become an important branch of drug discovery. Several computational approaches that help to uncover new repurposing opportunities and aid the discovery process have been put forward, or adapted from previous applications. A number of successful examples are now available. Overal...
| Published in: | Frontiers in Pharmacology |
|---|---|
| Main Authors: | , , , , , , |
| Format: | Article |
| Language: | English |
| Published: |
Frontiers Media S.A.
2017-05-01
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| Subjects: | |
| Online Access: | http://journal.frontiersin.org/article/10.3389/fphar.2017.00298/full |
| _version_ | 1857020489057173504 |
|---|---|
| author | Eric March-Vila Luca Pinzi Noé Sturm Annachiara Tinivella Ola Engkvist Hongming Chen Giulio Rastelli |
| author_facet | Eric March-Vila Luca Pinzi Noé Sturm Annachiara Tinivella Ola Engkvist Hongming Chen Giulio Rastelli |
| author_sort | Eric March-Vila |
| collection | DOAJ |
| container_title | Frontiers in Pharmacology |
| description | Drug repurposing has become an important branch of drug discovery. Several computational approaches that help to uncover new repurposing opportunities and aid the discovery process have been put forward, or adapted from previous applications. A number of successful examples are now available. Overall, future developments will greatly benefit from integration of different methods, approaches and disciplines. Steps forward in this direction are expected to help to clarify, and therefore to rationally predict, new drug–target, target–disease, and ultimately drug–disease associations. |
| format | Article |
| id | doaj-art-e3a0841aa0784214bb6b2857a3da4e21 |
| institution | Directory of Open Access Journals |
| issn | 1663-9812 |
| language | English |
| publishDate | 2017-05-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| spelling | doaj-art-e3a0841aa0784214bb6b2857a3da4e212025-08-19T19:43:48ZengFrontiers Media S.A.Frontiers in Pharmacology1663-98122017-05-01810.3389/fphar.2017.00298272508On the Integration of In Silico Drug Design Methods for Drug RepurposingEric March-Vila0Luca Pinzi1Noé Sturm2Annachiara Tinivella3Ola Engkvist4Hongming Chen5Giulio Rastelli6Molecular Modelling & Drug Design Lab, Department of Life Sciences, University of Modena and Reggio EmiliaModena, ItalyMolecular Modelling & Drug Design Lab, Department of Life Sciences, University of Modena and Reggio EmiliaModena, ItalyMolecular Modelling & Drug Design Lab, Department of Life Sciences, University of Modena and Reggio EmiliaModena, ItalyMolecular Modelling & Drug Design Lab, Department of Life Sciences, University of Modena and Reggio EmiliaModena, ItalyDiscovery Sciences, Innovative Medicines and Early Development Biotech Unit, AstraZeneca R&D GothenburgMölndal, SwedenDiscovery Sciences, Innovative Medicines and Early Development Biotech Unit, AstraZeneca R&D GothenburgMölndal, SwedenMolecular Modelling & Drug Design Lab, Department of Life Sciences, University of Modena and Reggio EmiliaModena, ItalyDrug repurposing has become an important branch of drug discovery. Several computational approaches that help to uncover new repurposing opportunities and aid the discovery process have been put forward, or adapted from previous applications. A number of successful examples are now available. Overall, future developments will greatly benefit from integration of different methods, approaches and disciplines. Steps forward in this direction are expected to help to clarify, and therefore to rationally predict, new drug–target, target–disease, and ultimately drug–disease associations.http://journal.frontiersin.org/article/10.3389/fphar.2017.00298/fulldrug repurposingdrug discoverymolecular modelingchemogenomicsstructure-based drug designligand-based drug design |
| spellingShingle | Eric March-Vila Luca Pinzi Noé Sturm Annachiara Tinivella Ola Engkvist Hongming Chen Giulio Rastelli On the Integration of In Silico Drug Design Methods for Drug Repurposing drug repurposing drug discovery molecular modeling chemogenomics structure-based drug design ligand-based drug design |
| title | On the Integration of In Silico Drug Design Methods for Drug Repurposing |
| title_full | On the Integration of In Silico Drug Design Methods for Drug Repurposing |
| title_fullStr | On the Integration of In Silico Drug Design Methods for Drug Repurposing |
| title_full_unstemmed | On the Integration of In Silico Drug Design Methods for Drug Repurposing |
| title_short | On the Integration of In Silico Drug Design Methods for Drug Repurposing |
| title_sort | on the integration of in silico drug design methods for drug repurposing |
| topic | drug repurposing drug discovery molecular modeling chemogenomics structure-based drug design ligand-based drug design |
| url | http://journal.frontiersin.org/article/10.3389/fphar.2017.00298/full |
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