Literature DB >> 21878981

Minimum information about a bioactive entity (MIABE).

Sandra Orchard1, Bissan Al-Lazikani, Steve Bryant, Dominic Clark, Elizabeth Calder, Ian Dix, Ola Engkvist, Mark Forster, Anna Gaulton, Michael Gilson, Robert Glen, Martin Grigorov, Kim Hammond-Kosack, Lee Harland, Andrew Hopkins, Christopher Larminie, Nick Lynch, Romeena K Mann, Peter Murray-Rust, Elena Lo Piparo, Christopher Southan, Christoph Steinbeck, David Wishart, Henning Hermjakob, John Overington, Janet Thornton.   

Abstract

Bioactive molecules such as drugs, pesticides and food additives are produced in large numbers by many commercial and academic groups around the world. Enormous quantities of data are generated on the biological properties and quality of these molecules. Access to such data - both on licensed and commercially available compounds, and also on those that fail during development - is crucial for understanding how improved molecules could be developed. For example, computational analysis of aggregated data on molecules that are investigated in drug discovery programmes has led to a greater understanding of the properties of successful drugs. However, the information required to perform these analyses is rarely published, and when it is made available it is often missing crucial data or is in a format that is inappropriate for efficient data-mining. Here, we propose a solution: the definition of reporting guidelines for bioactive entities - the Minimum Information About a Bioactive Entity (MIABE) - which has been developed by representatives of pharmaceutical companies, data resource providers and academic groups.

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Year:  2011        PMID: 21878981     DOI: 10.1038/nrd3503

Source DB:  PubMed          Journal:  Nat Rev Drug Discov        ISSN: 1474-1776            Impact factor:   84.694


  24 in total

Review 1.  The druggable genome.

Authors:  Andrew L Hopkins; Colin R Groom
Journal:  Nat Rev Drug Discov       Date:  2002-09       Impact factor: 84.694

2.  Understanding and predicting druggability. A high-throughput method for detection of drug binding sites.

Authors:  Peter Schmidtke; Xavier Barril
Journal:  J Med Chem       Date:  2010-08-12       Impact factor: 7.446

3.  An ontology for description of drug discovery investigations.

Authors:  Da Qi; Ross D King; Andrew L Hopkins; G Richard J Bickerton; Larisa N Soldatova
Journal:  J Integr Bioinform       Date:  2010-03-25

4.  Minimum information about a protein affinity reagent (MIAPAR).

Authors:  Julie Bourbeillon; Sandra Orchard; Itai Benhar; Carl Borrebaeck; Antoine de Daruvar; Stefan Dübel; Ronald Frank; Frank Gibson; David Gloriam; Niall Haslam; Tara Hiltker; Ian Humphrey-Smith; Michael Hust; David Juncker; Manfred Koegl; Zoltàn Konthur; Bernhard Korn; Sylvia Krobitsch; Serge Muyldermans; Per-Ake Nygren; Sandrine Palcy; Bojan Polic; Henry Rodriguez; Alan Sawyer; Martin Schlapshy; Michael Snyder; Oda Stoevesandt; Michael J Taussig; Markus Templin; Matthias Uhlen; Silvere van der Maarel; Christer Wingren; Henning Hermjakob; David Sherman
Journal:  Nat Biotechnol       Date:  2010-07       Impact factor: 54.908

5.  Similarity networks of protein binding sites.

Authors:  Ziding Zhang; Martin G Grigorov
Journal:  Proteins       Date:  2006-02-01

6.  The PSI formal document process and its implementation on the PSI website.

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Journal:  Proteomics       Date:  2007-07       Impact factor: 3.984

7.  Reactome: a database of reactions, pathways and biological processes.

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Journal:  Nucleic Acids Res       Date:  2010-11-09       Impact factor: 16.971

8.  Spirotetrahydro beta-carbolines (spiroindolones): a new class of potent and orally efficacious compounds for the treatment of malaria.

Authors:  Bryan K S Yeung; Bin Zou; Matthias Rottmann; Suresh B Lakshminarayana; Shi Hua Ang; Seh Yong Leong; Jocelyn Tan; Josephine Wong; Sonja Keller-Maerki; Christoph Fischli; Anne Goh; Esther K Schmitt; Philipp Krastel; Eric Francotte; Kelli Kuhen; David Plouffe; Kerstin Henson; Trixie Wagner; Elizabeth A Winzeler; Frank Petersen; Reto Brun; Veronique Dartois; Thierry T Diagana; Thomas H Keller
Journal:  J Med Chem       Date:  2010-07-22       Impact factor: 7.446

9.  The genome of the blood fluke Schistosoma mansoni.

Authors:  Matthew Berriman; Brian J Haas; Philip T LoVerde; R Alan Wilson; Gary P Dillon; Gustavo C Cerqueira; Susan T Mashiyama; Bissan Al-Lazikani; Luiza F Andrade; Peter D Ashton; Martin A Aslett; Daniella C Bartholomeu; Gaelle Blandin; Conor R Caffrey; Avril Coghlan; Richard Coulson; Tim A Day; Art Delcher; Ricardo DeMarco; Appolinaire Djikeng; Tina Eyre; John A Gamble; Elodie Ghedin; Yong Gu; Christiane Hertz-Fowler; Hirohisha Hirai; Yuriko Hirai; Robin Houston; Alasdair Ivens; David A Johnston; Daniela Lacerda; Camila D Macedo; Paul McVeigh; Zemin Ning; Guilherme Oliveira; John P Overington; Julian Parkhill; Mihaela Pertea; Raymond J Pierce; Anna V Protasio; Michael A Quail; Marie-Adèle Rajandream; Jane Rogers; Mohammed Sajid; Steven L Salzberg; Mario Stanke; Adrian R Tivey; Owen White; David L Williams; Jennifer Wortman; Wenjie Wu; Mostafa Zamanian; Adhemar Zerlotini; Claire M Fraser-Liggett; Barclay G Barrell; Najib M El-Sayed
Journal:  Nature       Date:  2009-07-16       Impact factor: 49.962

10.  The Gene Ontology in 2010: extensions and refinements.

Authors: 
Journal:  Nucleic Acids Res       Date:  2009-11-17       Impact factor: 16.971

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  35 in total

1.  Translational informatics: an industry perspective.

Authors:  Michael N Cantor
Journal:  J Am Med Inform Assoc       Date:  2012-01-11       Impact factor: 4.497

Review 2.  QSAR without borders.

Authors:  Eugene N Muratov; Jürgen Bajorath; Robert P Sheridan; Igor V Tetko; Dmitry Filimonov; Vladimir Poroikov; Tudor I Oprea; Igor I Baskin; Alexandre Varnek; Adrian Roitberg; Olexandr Isayev; Stefano Curtarolo; Denis Fourches; Yoram Cohen; Alan Aspuru-Guzik; David A Winkler; Dimitris Agrafiotis; Artem Cherkasov; Alexander Tropsha
Journal:  Chem Soc Rev       Date:  2020-05-01       Impact factor: 54.564

3.  QSAR Modeling Using Large-Scale Databases: Case Study for HIV-1 Reverse Transcriptase Inhibitors.

Authors:  Olga A Tarasova; Aleksandra F Urusova; Dmitry A Filimonov; Marc C Nicklaus; Alexey V Zakharov; Vladimir V Poroikov
Journal:  J Chem Inf Model       Date:  2015-06-29       Impact factor: 4.956

4.  Many InChIs and quite some feat.

Authors:  Wendy A Warr
Journal:  J Comput Aided Mol Des       Date:  2015-06-17       Impact factor: 3.686

5.  Curation of chemogenomics data.

Authors:  Denis Fourches; Eugene Muratov; Alexander Tropsha
Journal:  Nat Chem Biol       Date:  2015-08       Impact factor: 15.040

Review 6.  Reducing safety-related drug attrition: the use of in vitro pharmacological profiling.

Authors:  Joanne Bowes; Andrew J Brown; Jacques Hamon; Wolfgang Jarolimek; Arun Sridhar; Gareth Waldron; Steven Whitebread
Journal:  Nat Rev Drug Discov       Date:  2012-12       Impact factor: 84.694

7.  Shouldn't enantiomeric purity be included in the 'minimum information about a bioactive entity'?

Authors:  Giovanni Lentini
Journal:  Nat Rev Drug Discov       Date:  2012-09       Impact factor: 84.694

8.  How should the completeness and quality of curated nanomaterial data be evaluated?

Authors:  Richard L Marchese Robinson; Iseult Lynch; Willie Peijnenburg; John Rumble; Fred Klaessig; Clarissa Marquardt; Hubert Rauscher; Tomasz Puzyn; Ronit Purian; Christoffer Åberg; Sandra Karcher; Hanne Vriens; Peter Hoet; Mark D Hoover; Christine Ogilvie Hendren; Stacey L Harper
Journal:  Nanoscale       Date:  2016-05-04       Impact factor: 7.790

Review 9.  An Overview of the Challenges in Designing, Integrating, and Delivering BARD: A Public Chemical-Biology Resource and Query Portal for Multiple Organizations, Locations, and Disciplines.

Authors:  Andrea de Souza; Joshua A Bittker; David L Lahr; Steve Brudz; Simon Chatwin; Tudor I Oprea; Anna Waller; Jeremy J Yang; Noel Southall; Rajarshi Guha; Stephan C Schürer; Uma D Vempati; Mark R Southern; Eric S Dawson; Paul A Clemons; Thomas D Y Chung
Journal:  J Biomol Screen       Date:  2014-01-17

10.  NutriGenomeDB: a nutrigenomics exploratory and analytical platform.

Authors:  Roberto Martín-Hernández; Guillermo Reglero; José M Ordovás; Alberto Dávalos
Journal:  Database (Oxford)       Date:  2019-01-01       Impact factor: 3.451

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