Impact of the Protein Data Bank on antineoplastic approvals

John D. Westbrook, Rose Soskind, Brian P. Hudson, Stephen K. Burley

Research output: Contribution to journalReview articlepeer-review

4 Scopus citations

Abstract

Open access to 3D structure information from the Protein Data Bank (PDB) facilitated discovery and development of >90% of the 79 new antineoplastic agents (54 small molecules, 25 biologics) with known molecular targets approved by the FDA 2010–2018. Analyses of PDB holdings, the scientific literature and related documents for each drug–target combination revealed that the impact of public-domain 3D structure data was broad and substantial, ranging from understanding target biology (∼95% of all targets) to identifying a given target as probably druggable (∼95% of all targets) to structure-guided lead optimization (>70% of all small-molecule drugs). In addition to aggregate impact assessments, illustrative case studies are presented for three protein kinase inhibitors, an allosteric enzyme inhibitor and seven advanced-stage melanoma therapeutics.

Original languageEnglish (US)
Pages (from-to)837-850
Number of pages14
JournalDrug Discovery Today
Volume25
Issue number5
DOIs
StatePublished - May 2020

ASJC Scopus subject areas

  • Pharmacology
  • Drug Discovery

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