World Library  
Flag as Inappropriate
Email this Article

Structural analog

Article Id: WHEBN0003088890
Reproduction Date:

Title: Structural analog  
Author: World Heritage Encyclopedia
Language: English
Subject: Allopregnanolone, Mephedrone, 4-HO-MiPT, Development of analogs of thalidomide, 2C-YN
Collection:
Publisher: World Heritage Encyclopedia
Publication
Date:
 

Structural analog

Structural analogs (structural analogue or simply analog) are models or representations that keep each other certain "structural similarity". It is used in engineering, chemistry, mathematics and other fields.

Despite the field diversity, all structural analog analysis use some level of abstraction to transform models in mathematical graphs, and detected structural analogies by algorithms. Example: for molecular structure comparison and classification operations, the compared compounds are modeled as a mathematical graph.[1] Formally, when structures are represented by graphs, the concept of analog is related to a graph isomorphism.

Systems engineering

A mechanical network diagram of a simple resonator (top) and one electrical network with an equivalent structure and behaviour (bottom), then, an analog for it.

Analogical models are used in a method of representing a ‘target system’ by another, more understandable or analysable system.

Two systems have analog structures (see illustration) if they are isomorphic graphs and have equivalent (mapped) lumped elements. In Electronics, methods based on fault models of structural analogs gain some acceptance in industry.[2]

Chemistry

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.[3][4][5]

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.[6]

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[7] or a database is screened for structural analogs of a lead compound.[8]

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
Methanol
Silanol
Phenethylamine
Amphetamine
Methamphetamine

See also

References

  1. ^ C Ashby et all (2013), "New enumeration algorithm for protein structure comparison and classification", BMC Genomics DOI:10.1186/1471-2164-14-S2-S1
  2. ^ "Analog Automatic Test-Pattern Generation", M. L. Bushnell, V. D. Agraval
  3. ^
  4. ^
  5. ^
  6. ^
  7. ^
  8. ^

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.