Drug Repurposing (DRPx), also commonly referred to as Drug Repositioning or Drug Rescue, emerged primarily in the early 1990s as an alternative to conventional de novo DDD. DRPx is defined more specifically as the process of finding new indications for approved drugs, abandoned or shelved compounds and candidates under development.

DRPx is a complex process which requires a myriad of technologies. Drugdesigntech offers a suite of tools and services in order to facilitate such efforts.

Data integration

It is essential to access knowledge on DRPx candidates because they are often regarded as safe and also have desirable pharmacokinetic and pharmacodynamic properties. However the results of original programs are not so easy to review and some data often lacked. Experimental DRPx requires free access to data or libraries containing approved or off-patent drugs that have potential for rescue or repositioning.

Drugdesigntech services can help you to:
  • integrate the information from numerous publicly databases such as DrugBank, PubChem, ChEMBL, or FDA public lists with your own information.
  • facilitate the capture and automate DRPx analysis of published biomedical knowledge, publications or social media sources

Data storing

The main challenge of computational drug repositioning remains to store this huge amount of knowledge

Drugdesigntech services can help you to:
  • create an in-house database to store existing or novel chemicals, together with their chemical structure, physiochemical properties and other related data
  • maintain a knowledge warehouse for efficient sharing of resources, data, compounds and drugs
  • offer an easy to use framework with good search performance (search by chemical substructure, CAS number, properties)
  • support any kind of entities (from single compounds to mixtures)
  • propose a self-updating system with regular reevaluation of the information assets

Data analysis

Experimental validation is costly and labor-intensive. Computational virtual screening techniques are used for both original lead discovery and repositioning investigation

Drugdesigntech services can help you to:
  • analyze and compare the molecular properties of the compounds
  • identify similarities and connections with known chemical substances
  • give comprehensive target information in addition to chemical attributes
  • propose potential mechanism of action, pathway or new indication extension areas
  • suggest potential threatening side effects

Learn more about Drugdesigntech services, contact us