CSgator: an integrated web platform for compound set analysis

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

An integrated clinical and genomic information system for cancer precision medicine

Abstract Background Increasing affordability of next-generation sequencing (NGS) has created an opportunity for realizing genomically-informed personalized cancer therapy as a path to precision oncology. However, the complex nature of genomic information presents a huge challenge for clinicians in interpreting the patient’s genomic alterations and selecting the optimum approved or investigational therapy. An elaborate and practical information system is urgently needed to support clinical decision as well as to test clinical hypotheses quickly. Results Here, we present an integrated clinical and genomic information system (CGIS) based on NGS data analyses. Major components include modules for handling clinical data, NGS data processing, variant annotation and prioritization, drug-target-pathway analysis, and population cohort explorer. We built a comprehensive knowledgebase of genes, variants, drugs by collecting annotated information from public and in-house resources. Structured reports for molecular pathology are generated using standardized terminology in order to help clinicians interpret genomic variants and utilize them for targeted cancer therapy. We also implemented many features useful for testing hypotheses to develop prognostic markers from mutation and gene expression data. Conclusions Our CGIS software is an attempt to provide useful information for both clinicians and scientists who want to explore genomic information for precision oncology

MiRGator v3.0: A microRNA portal for deep sequencing, expression profiling and mRNA targeting

Biogenesis and molecular function are two key subjects in the field of microRNA (miRNA) research. Deep sequencing has become the principal technique in cataloging of miRNA repertoire and generating expression profiles in an unbiased manner. Here, we describe the miRGator v3.0 update (http://mirgator.kobic.re.kr) that compiled the deep sequencing miRNA data available in public and implemented several novel tools to facilitate exploration of massive data. The miR-seq browser supports users to examine short read alignment with the secondary structure and read count information available in concurrent windows. Features such as sequence editing, sorting, ordering, import and export of user data would be of great utility for studying iso-miRs, miRNA editing and modifications. miRNA-target relation is essential for understanding miRNA function. Coexpression analysis of miRNA and target mRNAs, based on miRNA-seq and RNA-seq data from the same sample, is visualized in the heat-map and network views where users can investigate the inverse correlation of gene expression and target relations, compiled from various databases of predicted and validated targets. By keeping datasets and analytic tools up-to-date, miRGator should continue to serve as an integrated resource for biogenesis and functional investigation of miRNAs

Additional file 6: of An integrated clinical and genomic information system for cancer precision medicine

Figure S4. An example of filtering process to select a patient cohort based on clinical information or properties. A. Selection of female and lifelong never-smoker patients in the TCGA LUAD cohort. (“Cohort Selection” menu is located in left-top side of the page) B. Driver genes were sorted by mutation frequency by clicking the “# Mutations” label at the bottom. The sorting result confirmed that EGFR is the most frequently mutated gene among these patients, whereas TP53 mutation was prevalent in other patients as shown in Additional file 7: Figure S3. (PNG 179 kb

Additional file 3: of An integrated clinical and genomic information system for cancer precision medicine

Galaxy workflow file (json data format) for WES data processing, it can be imported to another Galaxy server. (GA 53 kb

Additional file 7: of An integrated clinical and genomic information system for cancer precision medicine

Figure S3. Cohort explorer for the whole TCGA LUAD cohort and our patient (1) Significant driver genes identified by MutSigCV [22]. Each horizontal bar represents total count of mutations on the corresponding gene in the cohort. Color scheme indicates the coding properties of mutations. (2) The gray bar represents –log10(p-values) of each driver gene. (3) Sample-wise count of mutations with coding properties color-coded. (4) Clinical features of samples. (5) Mutations found in our patient are plotted at left-most side (i.e. the first column). (PNG 120 kb

Additional file 5: of An integrated clinical and genomic information system for cancer precision medicine

Instruction for users to upload their own FASTQ files into our BioCloud system so that they can process the NGS data and get the various reports described in main script. (PDF 1060 kb

Additional file 2: of An integrated clinical and genomic information system for cancer precision medicine

Figure S2. Galaxy workflow for WTS data processing. (PNG 111 kb

Additional file 1: of An integrated clinical and genomic information system for cancer precision medicine

Figure S1. Galaxy workflow for WES data processing. (PNG 221 kb

Additional file 4: of An integrated clinical and genomic information system for cancer precision medicine

Galaxy workflow file (json data format) for WTS data processing, it can be imported to another Galaxy server. (GA 23 kb