World Library  
Flag as Inappropriate
Email this Article

Analogue (chemistry)

Article Id: WHEBN0021064966
Reproduction Date:

Title: Analogue (chemistry)  
Author: World Heritage Encyclopedia
Language: English
Subject: Stannane
Collection:
Publisher: World Heritage Encyclopedia
Publication
Date:
 

Analogue (chemistry)

For other uses of analog, see Analog (disambiguation).

In chemistry, a structural analog (structural analogue), also known as chemical analog or simply analog, is a compound having a structure similar to that of another one, but differing from it in respect of a certain component.[1][2][3]

It can differ in one or more atoms, functional groups, or substructures, which are replaced with other atoms, groups, or substructures. A structural analog can be imagined to be formed, at least theoretically, from the other compound.

Despite a high chemical similarity, structural analogs are not necessarily functional analogs and can have very different physical, chemical, biochemical, or pharmacological properties.[4]

In drug discovery either a large series of structural analogs of an initial lead compound are created and tested as part of a structure-activity relationship study[5] or a database is screened for structural analogs of a lead compound.[6]

Chemical analogues of illegal drugs are developed and sold in order to circumvent laws. Such substances are often called designer drugs. Because of this, the United States passed the Federal Analog Act in 1986. This bill banned the production of any chemical analogue of a Schedule I or Schedule II substance that has substantially similar pharmacological effects, with the intent of human consumption.

Examples

See also

References

  1. ^ Willett, Peter, Barnard, John M. and Downs, Geoffry M. (1998). "Chemical Similarity Searching". Journal of Chemical Information and Computer Science 38: 983–996. doi:10.1021/ci9800211. 
  2. ^ A. M. Johnson, G. M. Maggiora (1990). Concepts and Applications of Molecular Similarity. New York: John Willey & Sons. ISBN . 
  3. ^ N. Nikolova, J. Jaworska (2003). "Approaches to Measure Chemical Similarity - a Review". QSAR & Combinatorial Science 22 (9-10): 1006–1026. doi:10.1002/qsar.200330831. 
  4. ^ Martin, Yvonne C., Kofron, James L. and Traphagen, Linda M. (2002). "Do Structurally Similar Molecules Have Similar Biological Activity?". Journal of Medicinal Chemistry 45 (19): 4350–4358. PMID 12213076. doi:10.1021/jm020155c. 
  5. ^ Schnecke, Volker and Boström, Jonas (2006). "Computational chemistry-driven decision making in lead generation". Drug Discovery Today 11 (1-2): 43–50. doi:10.1016/S1359-6446(05)03703-7. 
  6. ^ Rester, Ulrich (2008). "From virtuality to reality - Virtual screening in lead discovery and lead optimization: A medicinal chemistry perspective". Current Opinion in Drug Discovery & Development 11 (4): 559–68. PMID 18600572. 

External links

  • Analoging in ChEMBL, DrugBank and the Connectivity Map — a free web-service for finding structural analogs in ChEMBL, DrugBank and the Connectivity Map.


This article was sourced from Creative Commons Attribution-ShareAlike License; additional terms may apply. World Heritage Encyclopedia content is assembled from numerous content providers, Open Access Publishing, and in compliance with The Fair Access to Science and Technology Research Act (FASTR), Wikimedia Foundation, Inc., Public Library of Science, The Encyclopedia of Life, Open Book Publishers (OBP), PubMed, U.S. National Library of Medicine, National Center for Biotechnology Information, U.S. National Library of Medicine, National Institutes of Health (NIH), U.S. Department of Health & Human Services, and USA.gov, which sources content from all federal, state, local, tribal, and territorial government publication portals (.gov, .mil, .edu). Funding for USA.gov and content contributors is made possible from the U.S. Congress, E-Government Act of 2002.
 
Crowd sourced content that is contributed to World Heritage Encyclopedia is peer reviewed and edited by our editorial staff to ensure quality scholarly research articles.
 
By using this site, you agree to the Terms of Use and Privacy Policy. World Heritage Encyclopedia™ is a registered trademark of the World Public Library Association, a non-profit organization.
 


Copyright © World Library Foundation. All rights reserved. eBooks from Project Gutenberg are sponsored by the World Library Foundation,
a 501c(4) Member's Support Non-Profit Organization, and is NOT affiliated with any governmental agency or department.