A perspective on multi-target drug discovery and design for complex diseases

Rona R. Ramsay, Marija R. Popovic-Nikolicb, Katarina Nikolic, Elisa Uliassi, Maria Laura Bolognesi

Research output: Contribution to journalReview articlepeer-review


Diseases of infection, of neurodegeneration (such as Alzheimer’s and Parkinson’s diseases), and of malignancy (cancers) have complex and varied causative factors. Modern drug discovery has the power to identify potential modulators for multiple targets from millions of compounds. Computational approaches allow the determination of the association of each compound with its target before chemical synthesis and biological testing is done. These approaches depend on the prior identification of clinically and biologically validated targets. This Perspective will focus on the molecular and computational approaches that underpin drug design by medicinal chemists to promote understanding and collaboration with clinical scientists.
Original languageEnglish
Article number3
Number of pages14
JournalClinical and Translational Medicine
Publication statusPublished - 17 Jan 2018


  • Multi-target drugs
  • Neurodegeneration
  • Cancer
  • Cheminformatics
  • Virtual screening
  • Biological assays


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