ToxAnalyzer: A user-friendly web tool for interactive data analysis and visualization of chemical compounds from the Comparative Toxicogenomics Database (CTD)TM

被引:1
作者
Rodrigues, Daniel Ribeiro [1 ]
Mariano, Diego Cesar Batista [2 ]
Santos, Lucianna Helene Silva [3 ]
Tagliati, Carlos Alberto [1 ]
机构
[1] Univ Fed Minas Gerais, Coll Pharm, Dept Clin & Toxicol Anal, Lab Toxicol ToxLab, BR-31270901 Belo Horizonte, MG, Brazil
[2] Univ Fed Minas Gerais, Inst Exact Sci, Dept Comp Sci, Lab Bioinformat & Syst, BR-31270901 Belo Horizonte, MG, Brazil
[3] Univ Fed Minas Gerais, Inst Biol Sci, Dept Biochem & Immunol, Lab Mol Modeling & Drug Design, BR-31270901 Belo Horizonte, MG, Brazil
关键词
Toxicogenomics; Database; Tool; Interactions; Data Analysis; Computational Toxicology; CHRONIC KIDNEY-DISEASE; ACUTE-RENAL-FAILURE; NONSTEROIDAL ANTIINFLAMMATORY DRUGS; IN-VIVO EXTRAPOLATION; URINE FLOW-DEPENDENCE; ANION TRANSPORTER 4; PROTEIN-BINDING; UDP-GLUCURONOSYLTRANSFERASES; PHARMACOKINETIC MODEL; CLINICAL PHARMACOKINETICS;
D O I
10.1016/j.comtox.2021.100170
中图分类号
R99 [毒物学(毒理学)];
学科分类号
100405 ;
摘要
Toxicology is a field of science that has undergone changes in recent years. Using modern sequencing technologies, it went from an exclusive animal-based science to a field of data-based decision making. Many databases store important data about toxicology experiments, which can be useful to understand the mechanisms concerning chemical product toxicity. One of these databases is the "Comparative Toxicogenomics Database" (CTD) that provides information about diseases, genes, compounds, and their role in toxicity. However, a simple search in CTD produces a high volume of data to be manually and individually analyzed. Most tools available to analyze CTD's data require previous installation and the knowledge of writing and manipulating programming scripts. Here, we show ToxAnalyzer, a web tool that provides an organized overview of the complete compound data available in CTD to aid users in possible toxicogenomic studies. Our application withdraws data from CTD's servers and uses a set of Python scripts to process and display important information about any chemical compound found in CTD. Using the chemical name, a user can gather information about related publications, associated organisms, gene interactions, and other relative plots. If users need more information about an interaction between a specific gene and a chemical compound, PubMed ID links are available to access the original publications. Therefore, ToxAnalyzer is user-friendly and can be accessed with any device with internet access, requiring absolutely no programming knowledge. ToxAnalyzer is available at https://tox-analyzer.com/.
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页数:10
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共 108 条
[1]  
[Anonymous], 1991, Lancet, V338, P1345
[2]  
[Anonymous], 2013, Vander' s Renal Physiology
[3]   Mechanistic models versus machine learning, a fight worth fighting for the biological community? [J].
Baker, Ruth E. ;
Pena, Jose-Maria ;
Jayamohan, Jayaratnam ;
Jerusalem, Antoine .
BIOLOGY LETTERS, 2018, 14 (05)
[4]   PHYSIOLOGICAL MODELING OF CYCLOSPORINE KINETICS IN RAT AND MAN [J].
BERNAREGGI, A ;
ROWLAND, M .
JOURNAL OF PHARMACOKINETICS AND BIOPHARMACEUTICS, 1991, 19 (01) :21-50
[5]   SALICYLATE METABOLITE KINETICS AFTER SEVERAL SALICYLATES [J].
BOCHNER, F ;
GRAHAM, GG ;
CHAM, BE ;
IMHOFF, DM ;
HAAVISTO, TM .
CLINICAL PHARMACOLOGY & THERAPEUTICS, 1981, 30 (02) :266-275
[6]  
Boroujerdi M., 2015, Pharmacokinetics and toxicokinetics
[7]   Metformin and cimetidine: Physiologically based pharmacokinetic modelling to investigate transporter mediated drug-drug interactions [J].
Burt, H. J. ;
Neuhoff, S. ;
Almond, L. ;
Gaohua, L. ;
Harwood, M. D. ;
Jamei, M. ;
Rostami-Hodjegan, A. ;
Tucker, G. T. ;
Rowland-Yeo, K. .
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2016, 88 :70-82
[8]   Molecular cloning and characterization of multispecific organic anion transporter 4 expressed in the placenta [J].
Cha, SH ;
Sekine, T ;
Kusuhara, H ;
Yu, E ;
Kim, JY ;
Kim, DK ;
Sugiyama, Y ;
Kanai, Y ;
Endou, H .
JOURNAL OF BIOLOGICAL CHEMISTRY, 2000, 275 (06) :4507-4512
[9]   Application of IVIVE and PBPK modeling in prospective prediction of clinical pharmacokinetics: strategy and approach during the drug discovery phase with four case studies [J].
Chen, Yuan ;
Jin, Jin Y. ;
Mukadam, Sophie ;
Malhi, Vikram ;
Kenny, Jane R. .
BIOPHARMACEUTICS & DRUG DISPOSITION, 2012, 33 (02) :85-98
[10]   United States Renal Data System public health surveillance of chronic kidney disease and end-stage renal disease [J].
Collins, Allan J. ;
Foley, Robert N. ;
Gilbertson, David T. ;
Chen, Shu-Cheng .
KIDNEY INTERNATIONAL SUPPLEMENTS, 2015, 5 (01) :2-7