Abstract
Chemogenomics is a comparatively nascent branch dealing with the effects of drugs and chemicals on molecular level systems. With the emergence of this new epoch, the quantity of data sources is also unprecedentedly increasing. Despite having a plethora of a databases, the variation in bioactivity measurement as well as bias toward specific protein studies, varied computational procedures and redundant information make data mining tedious, especially for newcomers in the field. In this chapter, we give an overview of hands-on data collection and domains of applicability from some useful Web-based chemogenomic resources that are accessible with nothing more than a Web browser. This overview can help assist users in acquiring chemogenomic datasets for their project at hand.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
Neuman KC (2010) Single-molecule measurements of DNA topology and topoisomerases. J Biol Chem 285:18967–18971. https://doi.org/10.1074/jbc.R109.092437
Pommier Y, Sun Y, Huang SN, Nitiss JL (2016) Roles of eukaryotic topoisomerases in transcription, replication and genomic stability. Nat Rev Mol Cell Biol 17:703–721. https://doi.org/10.1038/nrm.2016.111
Kringelum J, Kjaerulff SK, Brunak S et al (2016) ChemProt-3.0: a global chemical biology diseases mapping. Database 2016:bav123. https://doi.org/10.1093/database/bav123
Szklarczyk D, Santos A, von Mering C et al (2015) STITCH 5: augmenting protein-chemical interaction networks with tissue and affinity data. Nucleic Acids Res 44:gkv1277. https://doi.org/10.1093/nar/gkv1277
Kuhn M, Szklarczyk D, Pletscher-Frankild S et al (2014) STITCH 4: integration of protein-chemical interactions with user data. Nucleic Acids Res 42:D401–D407. https://doi.org/10.1093/nar/gkt1207
Kim S, Thiessen PA, Bolton EE et al (2016) PubChem substance and compound databases. Nucleic Acids Res 44:D1202–D1213. https://doi.org/10.1093/nar/gkv951
Wang Y, Bryant SH, Cheng T et al (2017) PubChem BioAssay: 2017 update. Nucleic Acids Res 45:D955–D963. https://doi.org/10.1093/nar/gkw1118
Wang Y, Xiao J, Suzek TO et al (2012) PubChem’s BioAssay database. Nucleic Acids Res 40:D400–D412. https://doi.org/10.1093/nar/gkr1132
Gaulton A, Hersey A, Nowotka M et al (2017) The ChEMBL database in 2017. Nucleic Acids Res 45:D945–D954. https://doi.org/10.1093/nar/gkw1074
Gaulton A, Bellis LJ, Bento AP et al (2012) ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res 40:D1100–D1107. https://doi.org/10.1093/nar/gkr777
Bento AP, Gaulton A, Hersey A et al (2014) The ChEMBL bioactivity database: an update. Nucleic Acids Res 42:D1083–D1090. https://doi.org/10.1093/nar/gkt1031
Hastings J, de Matos P, Dekker A et al (2013) The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013. Nucleic Acids Res 41:D456–D463. https://doi.org/10.1093/nar/gks1146
Pence HE, Williams A (2010) ChemSpider: an online chemical information resource. J Chem Educ 87:1123–1124. https://doi.org/10.1021/ed100697w
Williams AJ, Tkachenko V, Golotvin S et al (2010) ChemSpider–building a foundation for the semantic web by hosting a crowd sourced databasing platform for chemistry. J Cheminform 2:O16. https://doi.org/10.1186/1758-2946-2-S1-O16
Whirl-Carrillo M, McDonagh EM, Hebert JM et al (2012) Pharmacogenomics knowledge for personalized medicine. Clin Pharmacol Ther 92:414–417. https://doi.org/10.1038/clpt.2012.96
Hewett M, Oliver DE, Rubin DL et al (2002) PharmGKB: the pharmacogenetics knowledge base. Nucleic Acids Res 30:163–165
Keiser MJ, Roth BL, Armbruster BN et al (2007) Relating protein pharmacology by ligand chemistry. Nat Biotechnol 25:197–206. https://doi.org/10.1038/nbt1284
Kanehisa M, Sato Y, Kawashima M et al (2016) KEGG as a reference resource for gene and protein annotation. Nucleic Acids Res 44:D457–D462. https://doi.org/10.1093/nar/gkv1070
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2018 Springer Science+Business Media, LLC, part of Springer Nature
About this protocol
Cite this protocol
Al Mahmud, R., Najnin, R.A., Polash, A.H. (2018). A Survey of Web-Based Chemogenomic Data Resources. In: Brown, J. (eds) Computational Chemogenomics. Methods in Molecular Biology, vol 1825. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-8639-2_1
Download citation
DOI: https://doi.org/10.1007/978-1-4939-8639-2_1
Published:
Publisher Name: Humana Press, New York, NY
Print ISBN: 978-1-4939-8638-5
Online ISBN: 978-1-4939-8639-2
eBook Packages: Springer Protocols