Compound having a structure similar to that of another compound
This article is about the chemistry term. For related uses, see analogical models and analog (disambiguation).
A structural analog, also known as a chemical analog or simply an analog, is a compound having a structure similar to that of another compound, but differing from it in respect to 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. Structural analogs are often isoelectronic.
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 Analogue 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.
^Willett, Peter, Barnard, John M. and Downs, Geoffry M. (1998). "Chemical Similarity Searching" (PDF). Journal of Chemical Information and Computer Sciences. 38 (6): 983–996. CiteSeerX 10.1.1.453.1788. doi:10.1021/ci9800211.{{cite journal}}: CS1 maint: multiple names: authors list (link)
^A. M. Johnson; G. M. Maggiora (1990). Concepts and Applications of Molecular Similarity. New York: John Wiley & Sons. ISBN 978-0-471-62175-1.
^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.
^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. doi:10.1021/jm020155c. PMID 12213076.{{cite journal}}: CS1 maint: multiple names: authors list (link)
^Schnecke, Volker & 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. PMID 16478690.
^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.
A structuralanalog, also known as a chemical analog or simply an analog, is a compound having a structure similar to that of another compound, but differing...
as another Structuralanalog (electronic), a system that has the same structure as another Analog (album), an album by Eureka Farm "Analog" (song), a...
Exatecan is a drug which is a structuralanalog of camptothecin with antineoplastic activity. A derivative is used in Trastuzumab deruxtecan. Abou-Alfa...
Xylazine is a structuralanalog of clonidine and an alpha-2 adrenergic receptor agonist, sold under many trade names worldwide, most notably the Bayer...
Analogical models are a method of representing a phenomenon of the world, often called the "target system" by another, more understandable or analysable...
formula CHF2COOH. It is a dihalogenocarboxylic acid, specifically a structuralanalog of acetic acid with two of three hydrogen atoms on the alpha carbon...
of different analog materials used to simulate deformational processes in structural geology. Such experiments are often called analog or analogue models...
introduced in the 1960s, one of the twenty Good's buffers. It is a structuralanalog to MES, and like MES, its structure contains a morpholine ring. HEPES...
ethanol. Captopril, the first ACE inhibitor, is a functional and structuralanalog of a peptide derived from the venom of the jararaca, a Brazilian pit...
trimethoprim or sulfonamides. Sulfamethoxazole, a sulfanilamide, is a structuralanalog of para-aminobenzoic acid (PABA). They compete with PABA to bind to...
products are also formed in the presence of oxygen and Fe3+ ions. Sulfur analogs are known with a benzothienyl replacement as well as 4-SH-DMT. 1-Methylpsilocin...
neutrophils can convert sebacic acid to its 5-oxo analog, i.e., 5-oxo-6E,8Z-octadecenoic acid, a structuralanalog of 5-oxo-eicosatetraenoic acid and like this...
for coding, decoding, regulation and expression of genes. It has a structuralanalog, deoxyribose, which is a similarly essential component of DNA. l-ribose...
screen for the presence of modafinil in samples. Many derivatives and structuralanalogs of modafinil have been synthesized. Examples include adrafinil, CE-123...
Fumarin, also known as coumafuryl is a coumarin derivative, a structuralanalog of warfarin. It can be used as rodenticide. Pesticide Properties Database...
(now Syngenta) in 1993 for use as a non-systemic fungicide. It is a structuralanalog of the natural fungicide pyrrolnitrin. It is used for the treatment...
in freshly prepared teas and some human dietary supplements. As a structuralanalog of glutamate and glutamine, the theanine in teas or supplements is...
it appeared on the grey market as a novel designer drug. It is a structuralanalog of phenazepam in which the chlorine atom has been replaced by a fluorine...
In other words, all of the compounds that belong to this class are structuralanalogs of phenethylamine. Two ethyl groups attached to the amine group Inan...
(HSG4112) is an experimental anti-obesity drug that is a synthetic structuralanalog of glabridin. Hyeon, Jooseung; Lee, Jihan; Kim, Eunju; Lee, Hyeong...
Mebutamate (Capla, Dormate) is an anxiolytic and sedative drug with antihypertensive effects of the carbamate class. It has effects comparable to those...
Global Information