CSgator: an integrated web platform for compound set analysis
- 주제(키워드) Compound set analysis , Drug target , Bioactivity profile , Bioassay , Compound network
- 주제(기타) Chemistry, Multidisciplinary; Computer Science, Information Systems; Computer Science, Interdisciplinary Applications
- 설명문(일반) [Park, Sera; Jung, Hyesoo; Jang, Sukyung; Lee, Haeseung; Kim, Wankyu] Ewha Womans Univ, Ewha Res Ctr Syst Biol, Dept Life Sci, Div Mol & Life Sci, Seoul, South Korea; [Kwon, Yeajee; Kim, Wankyu] KaiPharm, Seoul, South Korea
- 등재 SCIE, SCOPUS
- OA유형 Green Published, gold
- 발행기관 BMC
- 발행년도 2019
- URI http://www.dcollection.net/handler/ewha/000000160131
- 본문언어 영어
- Published As http://dx.doi.org/10.1186/s13321-019-0339-6
- PubMed https://pubmed.ncbi.nlm.nih.gov/30830479
초록/요약
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.
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