CSgator: An integrated web platform for compound set analysis

Sera Park, Yeajee Kwon, Hyesoo Jung, Sukyung Jang, Haeseung Lee, Wankyu Kim

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

Drug discovery typically involves investigation of a set of compounds (e.g. drug screening hits) in terms of target, disease, and bioactivity. CSgator is a comprehensive analytic tool for set-wise interpretation of compounds. It has two unique analytic features of Compound Set Enrichment Analysis (CSEA) and Compound Cluster Analysis (CCA), which allows batch analysis of compound set in terms of (i) target, (ii) bioactivity, (iii) disease, and (iv) structure. CSEA and CCA present enriched profiles of targets and bioactivities in a compound set, which leads to novel insights on underlying drug mode-of-action, and potential targets. Notably, we propose a novel concept of 'Hit Enriched Assays", i.e. bioassays of which hits are enriched among a given set of compounds. As an example, we show its utility in revealing drug mode-of-action or identifying hidden targets for anti-lymphangiogenesis screening hits. CSgator is available at http://csgator.ewha.ac.kr, and most analytic results are downloadable.

Original languageEnglish
Article number17
JournalJournal of Cheminformatics
Volume11
Issue number1
DOIs
StatePublished - 4 Mar 2019

Keywords

  • Bioactivity profile
  • Bioassay
  • Compound network
  • Compound set analysis
  • Drug target

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