Mimicking strategy for protein-protein interaction inhibitor discovery by virtual screening

Ke Jia Wu, Pui Man Lei, Hao Liu, Chun Wu, Chung Hang Leung*, Dik Lung Ma

*Corresponding author for this work

Research output: Contribution to journalJournal articlepeer-review

21 Citations (Scopus)


As protein-protein interactions (PPIs) are highly involved in most cellular processes, the discovery of PPI inhibitors that mimic the structure of the natural protein partners is a promising strategy toward the discovery of PPI inhibitors. In this review, we discuss recent advances in the application of virtual screening for identifying mimics of protein partners. The classification and function of the mimicking protein partner inhibitor discovery by virtual screening are described. We anticipate that this review would be of interest to medicinal chemists and chemical biologists working in the field of protein-protein interaction inhibitors or probes.

Original languageEnglish
Article number4428
Number of pages14
Issue number24
Publication statusPublished - 4 Dec 2019

Scopus Subject Areas

  • Analytical Chemistry
  • Chemistry (miscellaneous)
  • Molecular Medicine
  • Pharmaceutical Science
  • Drug Discovery
  • Physical and Theoretical Chemistry
  • Organic Chemistry

User-Defined Keywords

  • Drug discovery
  • Mimetics
  • Protein-protein interactions
  • Virtual screening


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