TY - JOUR
T1 - CSgator
T2 - An integrated web platform for compound set analysis
AU - Park, Sera
AU - Kwon, Yeajee
AU - Jung, Hyesoo
AU - Jang, Sukyung
AU - Lee, Haeseung
AU - Kim, Wankyu
N1 - Publisher Copyright:
© 2019 The Author(s).
PY - 2019/3/4
Y1 - 2019/3/4
N2 - 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.
AB - 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.
KW - Bioactivity profile
KW - Bioassay
KW - Compound network
KW - Compound set analysis
KW - Drug target
UR - http://www.scopus.com/inward/record.url?scp=85062506431&partnerID=8YFLogxK
U2 - 10.1186/s13321-019-0339-6
DO - 10.1186/s13321-019-0339-6
M3 - Article
AN - SCOPUS:85062506431
SN - 1758-2946
VL - 11
JO - Journal of Cheminformatics
JF - Journal of Cheminformatics
IS - 1
M1 - 17
ER -