Computational Drug Repositioning Score

CoDReS is a drug (re-)ranking web-based tool, which combines an initial drug ranking with a functional score of each drug considered in conjunction with the disease under study as well as with a structural score derived from potential drugability violations.


Drug repurposing techniques allow existing drugs to be tested against diseases outside their initial spectrum, resulting in reduced cost and eliminating the long time-frames of new drug development. In silico drug repurposing further speeds up the process either by proposing drugs suitable to invert the transcriptomic profile of a disease or by indicating drugs based on their common targets or structural similarity with other drugs with similar mode of action.

Such methods usually return a number of potential repurposed drugs that need to be tested against the disease in in vitro, pre-clinical and clinical studies. Thus, it is crucial to have a more sophisticated candidate drug ranking in order to start testing from the most promising chemical substances. As a means to enhance the above decision process, we present CoDReS (Composite Drug Reranking Scoring), a drug (re-)ranking web-based tool, which combines an initial drug ranking (i.e. repurposing score or hypothesis/potentiality score) with a functional score of each drug considered in conjunction with the disease under study as well as with a structural score derived from potential drugability violations. Furthermore, a structural similarity clustering is applied on the considered drugs and a handful of structural exemplars are suggested for further in vitro and in vivo validation. The user is able to filter the results further, through structural similarity examination of the candidate drugs with drugs that have failed against the queried disease where related clinical trials have been carried out.

Resource organization

Resource providers

ON-BOARDED 
...
The Cyprus Institute of Neurology and Genetics

Iroon Avenue 6, Agios Dometios, 2371 Nicosia, Cyprus (CY)

ON-BOARDED 
...
The Cyprus Institute of Neurology and Genetics

Iroon Avenue 6, Agios Dometios, 2371 Nicosia, Cyprus (CY)

 THEMATIC
REGISTERED 

...

Website

https://codres.cing-big.hpcf.cyi.ac.cy/

Readiness

TRL8

Domain

Natural Sciences Medical & Health Sciences

Subdomain

Chemical Sciences Biological Sciences

Category

Applications

Subcategory

Other Utilities

Target users

Research Groups Research Managers Students Researchers Research Infrastructure Managers Research Organisations Research Networks Research Communities

Access type

Remote Virtual

Access mode

Free

Tags

Contact

George Spyrou, Head of the Bioinformatics Department
email: georges@cing.ac.cy
phone: +35722358600

Helpdesk e-mail

georges@cing.ac.cy

Security contact e-mail

georges@cing.ac.cy

The NI4OS-Europe project is funded by the European Commission under the Horizon 2020 European research infrastructures grant agreement no. 857645.