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Computational Platforms

The specific pathway for repurposing a drug will be dependent on the availability of prior pharmaceutical and biological knowledge and requirement for understanding the drug’s mechanism of action.

Computational platforms can provide large amounts of known information to support the hypothesis generation in drug repurposing. An overview of some computational platforms & databases and their role in the repositioning pathway is shown below:

Database

Information

Pubmed

A free search engine accessing primarily the MEDLINE database of references and abstracts on life sciences and biomedical topics

PubChem

A database of chemical molecules and their activities against biological assays

Pharmapendium

Database that brings together excerpted pre-clinical, clinical and post-release safety data in a single longitudinal database and offers regulatory context with 2.2 million searchable pages of FDA approval packages.

ChEMBL

 A manually curated chemical database of bioactive molecules with drug-like properties

US FDA’s electronic Orange Book

A database that identifies drug products approved on the basis of safety and effectiveness by the Food and Drug Administration (FDA)

Clinicaltrials.gov

Searchable database which provides information about current ongoing clinical research studies

GSK Clinical Study Register

 A repository of data from GSK-Sponsored Clinical Studies, supplementing communication in journals, scientific meetings, and approved prescribing information

GSK's SHARE initiative

Access to patient level data from the GSK’s clinical trials

GWAS data

A centralized compilation of summary level findings from genetic association studies, both large and small.

Side effect resource

Information on marketed medicines and their recorded adverse drug reactions