Drug Database

1. ASSIGNMENT ON DRUG DATABASE
PREPARED BY :
MUSTAFA KAMAL AHMED KHAN
ENROLMENT NO.: 2018-340-006
B.Sc (Toxicology) - 5TH SEMESTER
DEPARTMENT OF TOXICOLOGY
JAMIA HAMDARD, NEW DELHI
Submitted to-
Dr. Nidhi C. Dubey
Dated : 26-11-2020

2. DRUG DATABASE
Drug databases are sites where information about drugs and medications are stored, and one of the
largest (and most commonly used) drug databases is compiled by the Food & Drug Administration
(FDA).
The FDA is a federal agency that oversees and controls all medications in the U.S., which includes:
 Over-the-counter (OTC) medications
 Prescription medications
 Dietary supplements
 Vaccines

3. • The FDA drug database includes most of the drugs they have approved in the U.S.
since 1939. Best of all, this database is extremely easy to use. To search this database,
you simply need to go to the FDA drug database's website. Once you get to this
website, you are able to search the database by typing in the name of the drug or by
typing in any active ingredient of a drug.
• Additionally, the FDA drug database can be used to search drugs that are currently
going through clinical trials and/or the approval process. The FDA must approve a drug
before it is legally able to be sold and used in the United States. Therefore, drug
companies must formally submit an application to the FDA for the drug to be
approved. The drugs that have been submitted to the FDA but not yet approved can
be found in this database.

4. Screenshot of homepage of Drugs@FDA
Website: https://www.accessdata.fda.gov/scripts/cder/daf/

5. The Pubchem
PubChem is a database of chemical molecules and their activities against biological assays. The system is
maintained by the National Centre for Biotechnology Information (NCBI), a component of the National Library of
Medicine, which is part of the United States National Institutes of Health (NIH). PubChem can be accessed for free
through a web user interface. Millions of compound structures and descriptive datasets can be freely downloaded
via FTP. PubChem contains substance descriptions and small molecules with fewer than 1000 atoms and 1000
bonds. More than 80 database vendors contribute to the growing PubChem database.
Databases
PubChem consists of three dynamically growing primary databases. As of 1 November 2017:
 Compounds, 93.9 million entries (up from 54 million entries in Sept 2014), contains pure and characterized
chemical compounds.
 Substances, 236 million entries (up from 163 million entries in Sept 2014), contains also
mixtures, extracts, complexes and uncharacterized substances.
 Bio-Assay, bioactivity results from 1.25 million (up from 6000 in Sept 2014) high-throughput
screening programs with several million values.

6. Searching the databases is possible for a broad range of properties including chemical structure, name
fragments, chemical formula, molecular weight, LogP, and hydrogen bond, donor and acceptor count., etc.
PubChem contains its own online molecule editor with SMILES/SMARTS and InChI support that allows the
import and export of all common chemical file formats to search for structures and fragments.
Each hit provides information about synonyms, chemical properties, chemical structure including SMILES and
InChI strings, bioactivity, and links to structurally related compounds and other NCBI databases like PubMed.
In the text search form the database fields can be searched by adding the field name in square brackets to the
search term. A numeric range is represented by two numbers separated by a colon. The search terms and field
names are case-insensitive. Parentheses and the logical operators AND, OR, and NOT can be used. AND is
assumed if no operator is used.
Contd…

7. Website : https://pubchem.ncbi.nlm.nih.gov/
Screenshot of homepage of pubchem website
Contd…

8. PubMed is a free search engine accessing primarily the MEDLINE database of references and abstracts on life sciences and
biomedical topics. The United States National Library of Medicine (NLM) at the National Institutes of Health maintain the
database as part of the Entrez system of information retrieval.
From 1971 to 1997, online access to the MEDLINE database had been primarily through institutional facilities, such
as university libraries. PubMed, first released in January 1996, ushered in the era of private, free, home- and office-based
MEDLINE searching. The PubMed system was offered free to the public starting in June 1997.
In addition to MEDLINE, PubMed provides access to:
 older references from the print version of Index Medicus, back to 1951 and earlier
 references to some journals before they were indexed in Index Medicus and MEDLINE, for instance Science, BMJ,
and Annals of Surgery
 very recent entries to records for an article before it is indexed with Medical Subject Headings (MeSH) and added to
MEDLINE
 a collection of books available full-text and other subsets of NLM records
 PMC citations
 NCBI Bookshelf
The Pubmed

9. Website: https://pubmed.ncbi.nlm.nih.gov/
Screenshot of homepage of pubmed website
Contd…

10. The DrugBank database is a comprehensive, freely accessible, online database containing information
on drugs and drug targets. As both a bioinformatics and a cheminformatics resource, DrugBank combines detailed
drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence,
structure, and pathway) information. DrugBank has used content from Wikipedia; Wikipedia also often links to
Drugbank, posing potential circular reporting issues.
The latest release of the database (version 5.0) contains 9591 drug entries including 2037 FDA-approved small
molecule drugs, 241 FDA-approved biotech (protein/peptide) drugs, 96 nutraceuticals and over 6000 experimental
drugs. Additionally, 4270 non-redundant protein (i.e. drug target/enzyme/transporter/carrier) sequences are linked
to these drug entries. Each DrugCard entry contains more than 200 data fields with half of the information being
devoted to drug/chemical data and the other half devoted to drug target or protein data.
Four additional databases, HMDB, T3DB, SMPDB and FooDB are also part of a general suite
of metabolomic/cheminformatic databases. HMDB contains equivalent information on more than 40,000 human
metabolites, T3DB contains information on 3100 common toxins and environmental pollutants, SMPDB contains
pathway diagrams for nearly 700 human metabolic pathways and disease pathways, while FooDB contains
equivalent information on ~28,000 food components and food additives.
The DrugBank

11. All data in DrugBank is non-proprietary or is derived from a non-proprietary source. It is freely accessible and available to anyone.
In addition, nearly every data item is fully traceable and explicitly referenced to the original source. DrugBank data is available
through a public web interface and downloads.
Users may query DrugBank in a number of ways:
 Simple text queries of the entire textual component of the database are supported. Clicking on the Browse button generates a
tabular synopsis of DrugBank's content. This view allows users to casually scroll through the database or re-sort its contents.
 Clicking on a given DrugCard button brings up the full data content for the corresponding drug. A complete explanation of all
the DrugCard fields and sources is given there.
 The PharmaBrowse button allows users to browse through drugs as grouped by their indication. This is particularly useful for
pharmacists and physicians, but also for pharmaceutical researchers looking for potential drug leads.
 The ChemQuery button allows users to draw (using ChemAxon applets) or write (as a SMILES string) a chemical compound
and to search DrugBank for chemicals similar or identical to the query compound.
 The TextQuery button supports a more sophisticated text search (partial word matches, case sensitive, misspellings, etc.) of
the text portion of DrugBank.
 The SeqSearch button allows users to conduct BLAST (protein) sequence searches of the 18,000 sequences contained in
DrugBank. Both single and multiple sequence (i.e. whole proteome) BLAST queries are supported.
 The Data Extractor button opens an easy-to-use relational query search tool that allows users to select or search over various
combinations of subfields. The Data Extractor is the most sophisticated search tool for DrugBank.
Scope and access
Contd…

12. Screenshot of homepage of DrugBank website
Website: https://go.drugbank.com/
Contd…

13. PURPLE BOOK DATABASE OF LICENSED BIOLOGICAL
PRODUCTS
The Purple Book is a database that contains information about all FDA-licensed biological products regulated
by the Centre for Drug Evaluation and Research (CDER), including licensed biosimilar and interchangeable
products, and their reference products. The Purple Book also contains information on all FDA-licensed
allergenic, cellular and gene therapy, hematologic, and vaccine products regulated by the Centre for Biologics
Evaluation and Research (CBER).
Some of the information you can find in the Purple Book include:
• The date on which a biological product was licensed under section 351(a) or 351(k) of the Public Health
Service Act (PHS Act).
• Whether a biological product licensed under section 351(k) of the PHS Act has been determined by the FDA
to be biosimilar to or interchangeable with a reference biological product (an already-licensed FDA biological
product).
• The date of expiration of applicable exclusivity, if FDA evaluated the biological product for reference product
exclusivity under section 351(k)(7) of the PHS Act or exclusivity for first interchangeable biological product
under section 351(k)(6) of the PHS Act.

14. THE ORANGE BOOK
• The Orange Book (officially known as the Approved Drug Products with
Therapeutic Equivalence Evaluations) is a publication that provides
information about drugs approved by the FDA. Specifically, the Orange
Book provides information about drug patent and exclusivity. A drug
patent prohibits other drug companies from marketing or selling a
specific drug for a specific period of time (usually 20 years). Drug
exclusivity, simply put, forbids any other drug companies from selling
generic brands of a specific medication.