Fragment-based drug design: Strategic advances and lessons learned

H. Chen, X. Zhou, Y. Gao, H. Chen, J. Zhou

Research output: Chapter in Book/Report/Conference proceedingChapter

13 Scopus citations


Over the past two decades, high-throughput screening (HTS) has played a vital role in discovering new chemical leads. Due to the inherent defects and limitations associated with HTS, there exist high attrition rates. Fragment-based drug discovery (FBDD) has emerged as an efficient method to construct leads from weak-affinity fragments, which involves detecting weak fragment-target protein interactions using fragment-based screening (FBS) approaches. In this article, we discuss various FBS assays, compare their advantages and disadvantages, and stress the core principle of orthogonal validation and lead generation. The strategic advances in FBDD and lessons learned from success cases are also presented.

Original languageEnglish (US)
Title of host publicationDrug Discovery Technologies
PublisherElsevier Inc.
Number of pages21
ISBN (Electronic)9780128032008
ISBN (Print)9780128032015
StatePublished - Jun 3 2017
Externally publishedYes


  • Drug discovery
  • Fragment evolution
  • Fragment optimization
  • Fragment self-assembly
  • Fragment-based drug design
  • Fragment-based drug discovery
  • Fragment-based screening
  • Fragments
  • High-throughput screening
  • Ligand efficiency
  • Ligand-target interactions
  • Rational drug design
  • Structure-based drug design
  • Therapeutic agents

ASJC Scopus subject areas

  • Chemistry(all)


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