The NCGC Pharmaceutical Collection: A comprehensive resource of clinically approved drugs enabling repurposing and chemical genomics

By Ruili Huang, Noel Southall, Yuhong Wang, Adam Yasgar, Paul Shinn, A. Jadhav, Dac-Trung Nguyen, C. Austin. 2011

401 citations recorded by the source corpus.

Resources from the National Institutes of Health Chemical Genomics Center include a database and a physical collection of approved drugs. Small-molecule compounds approved for use as drugs may be “repurposed” for new indications and studied to determine the mechanisms of their beneficial and adverse effects. A comprehensive collection of all small-molecule drugs approved for human use would be invaluable for systematic repurposing across human diseases, particularly for rare and neglected diseases, for which the cost and time required for development of a new chemical entity are often prohibitive. Previous efforts to build such a comprehensive collection have been limited by the complexities, redundancies, and semantic inconsistencies of drug naming within and among regulatory agencies worldwide; a lack of clear conceptualization of what constitutes a drug; and a lack of access to physical samples. We report here the creation of a definitive, complete, and nonredundant list of all approved molecular entities as a freely available electronic resource and a physical collection of small molecules amenable to high-throughput screening.

Subfields: Computational Theory and Mathematics, Economics and Econometrics, Pharmacology

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Citations in the corpus

SWEETLEAD: an In Silico Database of Approved Drugs, Regulated Chemicals, and Herbal Isolates for Computer-Aided Drug Discovery (2013, background): “As such, we have included drugs approved in the USA, India, China, Australia, Brazil, the EMA, the WHO Essential Medicines List, and those listed in the NGCG Pharmaceutical Collection[38].”
Structure and dynamics of molecular networks: A novel paradigm of drug discovery: A comprehensive review (2012, background): “Databases of allosteric binding sites (Huang et al., 2011a; http:// mdl.shsmu.edu.cn/ASD) help the identification possible sites of allonetwork drug action.”
Improving the Human Hazard Characterization of Chemicals: A Tox21 Update (2013, methodology): “The working groups reflect the different components of the NAS vision (NRC 2007) and cooperatively address the four major focus areas necessary to bring about this paradigm shift [see NIEHS (2012) for additional information on the approaches and components of Tox21].”
A comprehensive map of molecular drug targets (2016, methodology): “…and antimalarials approved elsewhere in the world was compiled based on the data content of ChEMBL 21, DrugCentral and canSAR (see Further information; information accuracy in DrugCentral was benchmarked against multiple sources including the NCATS Pharmaceutical Collection 56 — see table 2 in REF.”
Computational Drug Repositioning: From Data to Therapeutics (2013, background): “61 This collection could be an excellent resource for repositioning, by integrating existing knowledge and generating new experimental data around these compounds.”
Ambiguity of non-systematic chemical identifiers within and between small-molecule databases (2015, background): “NPC provides clinically-approved drugs from USA, Europe, Canada, and Japan for high-throughput screening [23].”