On the Integration of In Silico Drug Design Methods for Drug Repurposing

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March-Vila, Eric; Pinzi, Luca; Sturm, Noé; Tinivella, Annachiara; Engkvist, Ola; Chen, Hongming; Rastelli, Giulio;
  • Publisher: Frontiers Media S.A.
  • Journal: Frontiers in Pharmacology, volume 8 (issn: 1663-9812, eissn: 1663-9812)
  • Publisher copyright policies & self-archiving
  • Identifiers: pmc: PMC5440551, doi: 10.3389/fphar.2017.00298, doi: 10.3389/fphar.2017.00298/full
  • Subject: structure-based drug design | "Marie Sklodowska-Curie Actions", bidrug repurposing, drug discovery, molecular modeling, chemogenomics, structure-based drug design, ligand-based drug design, machine learning, transcriptomics | ligand-based drug design | machine learning | drug repurposing | RM1-950 | drug discovery | molecular modeling | Therapeutics. Pharmacology | Pharmacology | chemogenomics | transcriptomics | Perspective | Chemogenomics; Drug discovery; Drug repurposing; Ligand-based drug design; Machine learning; Molecular modeling; Structure-based drug design; Transcriptomics; Pharmacology; Pharmacology (medical)

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 exam... View more
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