DrugBank 3.0: a comprehensive resource for ‘Omics’ research on drugs
Craig Knox,Vivian Law,Timothy Jewison,Philip Liu,Son Ly,Alex Frolkis,Allison Pon,Kelly Banco,Christine Mak,Vanessa Neveu,Yannick Djoumbou,Roman Eisner,An Chi Guo,David S. Wishart +13 more
TLDR
DrugBank 3.0 represents the result of 2 years of manual annotation work aimed at making the database much more useful for a wide range of ‘omics’ applications, particularly with regard to drug target, drug description and drug action data.Abstract:
DrugBank (http://www.drugbank.ca) is a richly annotated database of drug and drug target information. It contains extensive data on the nomenclature, ontology, chemistry, structure, function, action, pharmacology, pharmacokinetics, metabolism and pharmaceutical properties of both small molecule and large molecule (biotech) drugs. It also contains comprehensive information on the target diseases, proteins, genes and organisms on which these drugs act. First released in 2006, DrugBank has become widely used by pharmacists, medicinal chemists, pharmaceutical researchers, clinicians, educators and the general public. Since its last update in 2008, DrugBank has been greatly expanded through the addition of new drugs, new targets and the inclusion of more than 40 new data fields per drug entry (a 40% increase in data ‘depth’). These data field additions include illustrated drug-action pathways, drug transporter data, drug metabolite data, pharmacogenomic data, adverse drug response data, ADMET data, pharmacokinetic data, computed property data and chemical classification data. DrugBank 3.0 also offers expanded database links, improved search tools for drug–drug and food–drug interaction, new resources for querying and viewing drug pathways and hundreds of new drug entries with detailed patent, pricing and manufacturer data. These additions have been complemented by enhancements to the quality and quantity of existing data, particularly with regard to drug target, drug description and drug action data. DrugBank 3.0 represents the result of 2 years of manual annotation work aimed at making the database much more useful for a wide range of ‘omics’ (i.e. pharmacogenomic, pharmacoproteomic, pharmacometabolomic and even pharmacoeconomic) applications.read more
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Integrative analysis of complex cancer genomics and clinical profiles using the cBioPortal
Jianjiong Gao,Bulent Arman Aksoy,Ugur Dogrusoz,Gideon Dresdner,Benjamin Gross,S. Onur Sumer,Yichao Sun,Anders Jacobsen,Rileen Sinha,Erik Larsson,Ethan Cerami,Chris Sander,Nikolaus Schultz +12 more
TL;DR: A practical guide to the analysis and visualization features of the cBioPortal for Cancer Genomics, which makes complex cancer genomics profiles accessible to researchers and clinicians without requiring bioinformatics expertise, thus facilitating biological discoveries.
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The Reactome Pathway Knowledgebase.
Antonio Fabregat,Konstantinos Sidiropoulos,Phani V. Garapati,Marc Gillespie,Marc Gillespie,Kerstin Hausmann,Robin Haw,Bijay Jassal,S Jupe,Florian Korninger,Sheldon J. McKay,Lisa Matthews,Bruce May,Marija Milacic,Karen Rothfels,Veronica Shamovsky,Marissa Webber,Joel Weiser,Mark Williams,Guanming Wu,Lincoln Stein,Lincoln Stein,Lincoln Stein,Henning Hermjakob,Henning Hermjakob,Peter D'Eustachio +25 more
TL;DR: The Reactome Knowledgebase provides molecular details of signal transduction, transport, DNA replication, metabolism and other cellular processes as an ordered network of molecular transformations—an extended version of a classic metabolic map, in a single consistent data model.
Journal ArticleDOI
DrugBank 5.0: a major update to the DrugBank database for 2018
David S. Wishart,Yannick Djoumbou Feunang,An Chi Guo,Elvis J. Lo,Ana Marcu,Jason R. Grant,Tanvir Sajed,Daniel Johnson,Carin Li,Zinat Sayeeda,Nazanin Assempour,Ithayavani Iynkkaran,Yifeng Liu,Adam Maciejewski,Nicola Gale,Alex Wilson,Lucy Chin,Ryan Cummings,Diana Le,Allison Pon,Craig Knox,Michael Wilson +21 more
TL;DR: This year’s update, DrugBank 5.0, represents the most significant upgrade to the database in more than 10 years and significant improvements have been made to the quantity, quality and consistency of drug indications, drug binding data as well as drug-drug and drug-food interactions.
Journal ArticleDOI
ChEMBL: a large-scale bioactivity database for drug discovery
Anna Gaulton,Louisa J. Bellis,A. Patrícia Bento,Jon Chambers,Mark Davies,Anne Hersey,Yvonne Light,Shaun McGlinchey,David Michalovich,Bissan Al-Lazikani,John P. Overington +10 more
TL;DR: ChEMBL is an Open Data database containing binding, functional and ADMET information for a large number of drug-like bioactive compounds to maximize their quality and utility across a wide range of chemical biology and drug-discovery research problems.
Journal ArticleDOI
TCMSP: a database of systems pharmacology for drug discovery from herbal medicines.
Jinlong Ru,Peng Li,Wang Jinan,Wei Zhou,Bohui Li,Chao Huang,Pidong Li,Zihu Guo,Weiyang Tao,Yinfeng Yang,Xue Xu,Yan Li,Yonghua Wang,Ling Yang +13 more
TL;DR: The particular strengths of TCMSP are the composition of the large number of herbal entries, and the ability to identify drug-target networks and drug-disease networks, which will help revealing the mechanisms of action of Chinese herbs, uncovering the nature ofTCM theory and developing new herb-oriented drugs.
References
More filters
Journal ArticleDOI
The Pfam protein families database
Marco Punta,Penny Coggill,Ruth Y. Eberhardt,Jaina Mistry,John Tate,Chris Boursnell,Ningze Pang,Kristoffer Forslund,Goran Ceric,Jody Clements,Andreas Heger,Liisa Holm,Erik L. L. Sonnhammer,Sean R. Eddy,Alex Bateman,Robert D. Finn +15 more
TL;DR: The definition and use of family-specific, manually curated gathering thresholds are explained and some of the features of domains of unknown function (also known as DUFs) are discussed, which constitute a rapidly growing class of families within Pfam.
Journal ArticleDOI
Pfam: the protein families database.
Robert D. Finn,Alex Bateman,Jody Clements,Penelope Coggill,Ruth Y. Eberhardt,Sean R. Eddy,Andreas Heger,Kirstie Hetherington,Liisa Holm,Jaina Mistry,Erik L. L. Sonnhammer,John Tate,Marco Punta +12 more
TL;DR: Pfam as discussed by the authors is a widely used database of protein families, containing 14 831 manually curated entries in the current version, version 27.0, and has been updated several times since 2012.
Journal ArticleDOI
dbSNP: the NCBI database of genetic variation
Stephen T. Sherry,Minghong Ward,Michael Kholodov,Jonathan Baker,Lon Phan,Elizabeth M. Smigielski,Karl Sirotkin +6 more
TL;DR: The dbSNP database is a general catalog of genome variation to address the large-scale sampling designs required by association studies, gene mapping and evolutionary biology, and is integrated with other sources of information at NCBI such as GenBank, PubMed, LocusLink and the Human Genome Project data.
Journal ArticleDOI
The Universal Protein Resource (UniProt)
Amos Marc Bairoch,Rolf Apweiler,Cathy H. Wu,Winona C. Barker,Brigitte Boeckmann,Serenella Ferro,Elisabeth Gasteiger,Hongzhan Huang,Rodrigo Lopez,Michele Magrane,Maria Jesus Martin,Darren A. Natale,Claire O'Donovan,Nicole Redaschi,Lai-Su L. Yeh +14 more
TL;DR: During 2004, tens of thousands of Knowledgebase records got manually annotated or updated; the UniProt keyword list got augmented by additional keywords; the documentation of the keywords and are continuously overhauling and standardizing the annotation of post-translational modifications.
Journal ArticleDOI
DrugBank: a comprehensive resource for in silico drug discovery and exploration
David S. Wishart,Craig Knox,An Chi Guo,Savita Shrivastava,Murtaza Hassanali,Paul Stothard,Zhan Chang,Jennifer Woolsey +7 more
TL;DR: DrugBank is a unique bioinformatics/cheminformatics resource that combines detailed drug data with comprehensive drug target information and is fully searchable supporting extensive text, sequence, chemical structure and relational query searches.
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