構造類似体、構造類似薬

WordNet

relating to or having or characterized by structure; "structural engineer"; "structural errors"; "structural simplicity"
affecting or involved in structure or construction; "the structural details of a house such as beams and joists and rafters; not ornamental elements"; "structural damage"
concerned with systematic structure in a particular field of study
relating to or caused by structure, especially political or economic structure; "structural unemployment in a technological society"
of or related to the anus; "anal thermometer"
a stage in psychosexual development when the childs interest is concentrated on the anal region; fixation at this stage is said to result in orderliness, meanness, stubbornness, compulsiveness, etc. (同)anal retentive

PrepTutorEJDIC

構造[上]の,構成[上]の,組織[上]の / 建築[用]の
肛門(こうもん)(anus)の

Wikipedia preview

出典(authority):フリー百科事典『ウィキペディア（Wikipedia）』「2015/07/18 23:50:45」(JST)

wiki en

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

References

^ C Ashby et all (2013), "New enumeration algorithm for protein structure comparison and classification", BMC Genomics DOI:10.1186/1471-2164-14-S2-S1
^ "Analog Automatic Test-Pattern Generation", M. L. Bushnell, V. D. Agraval
^ Willett, Peter, Barnard, John M. and Downs, Geoffry M. (1998). "Chemical Similarity Searching" (PDF). Journal of Chemical Information and Computer Science 38: 983–996. doi:10.1021/ci9800211.
^ A. M. Johnson, G. M. Maggiora (1990). Concepts and Applications of Molecular Similarity. New York: John Willey & Sons. ISBN 0-471-62175-7.
^ 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.
^ 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.
^ 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.

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Related Pictures

★リンクテーブル★

リンク元	「構造類似体」「構造類似薬」
関連記事	「analog」「anal」「structural」

「構造類似体」

　　[★]

英: structural analog
関: 構造類似薬

「構造類似薬」

　　[★]

英: structural analog
関: 構造類似体

「analog」

　　[★]

n.

類似体、類似物、類縁体、アナログ、類似化合物、誘導体

関: analogue、derivate、derivative、relative

linux

analogのオプション

1	YEARLY	年別レポート
Q	QUARTERLY	4半期別レポート
m	MONTHLY	月別レポート
W	WEEKLY	週別レポート	ON
D	DAILYREP	日別レポート	ON
d	DAILYSUM	曜日別集計
H	HOURLYREP	時間別レポート	ON
h	HOURLYSUM	時間別集計	ON
w	WEEKHOUR	曜日別時間集計
4	QUARTERREP	15分間隔レポート	ON
6	QUARTERSUM	15分間隔集計	ON
5	FIVEREP	5分間隔レポート
7	FIVESUM	5分間隔集計
S	HOST	ホストレポート	ON
l	REDIRHOST	ホストリダイレクションレポート	ON
L	FAILHOST	ホスト不成功レポート	ON
Z	ORGANISATION	組織レポート	ON
o	DOMAIN	ドメインレポート	ON
r	REQUEST	リクエストレポート	ON
i	DIRECTORY	ディレクトリレポート	ON
t	FILETYPE	ファイル種類別レポート	ON
z	SIZE	ファイルサイズレポート	ON
P	PROCTIME	処理時間レポート	ON
E	REDIR	リダイレクトレポート	ON
I	FAILURE	不成功レポート	ON
f	REFERRER	リンク元レポート	ON
s	REFSITE	リンク元サイトレポート	ON
N	SEARCHQUERY	検索語句レポート	ON
n	SEARCHWORD	検索語レポート	ON
Y	INTSEARCHQUERY	内部検索語句レポート	ON
y	INTSEARCHWORD	内部検索単語レポート	ON
k	REDIRREF	リダイレクトされたリンク元URLレポート	ON
K	FAILREF	不成功リンク元レポート	ON
B	FULLBROWSER	ブラウザーレポート	ON
b	BROWSER	ブラウザーの概要	ON
p	OSREP	OSレポート	ON
v	VHOST	仮想ホストレポート	ON
R	REDIRVHOST	仮想ホストリダイレクションレポート	ON
M	FAILVHOST	仮想ホスト不成功レポート	ON
u	USER	ユーザレポート	ON
j	REDIRUSER	ユーザリダイレクションレポート	ON
J	FAILUSER	不成功ユーザレポート	ON
c	STATUS	状態コードレポート	ON

「anal」

　　[★]

adj.

肛門の、(analytical等の略)分析

関: analyse、analyses、analysis、analytical、analyze、ani、anus、assay、dissect

「structural」

　　[★]

adj.

構造上の、構造的な、構造学的な、立体構造的な

関: conformational、conformationally、structurally

[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

[Willet1998-3] Willett, Peter, Barnard, John M. and Downs, Geoffry M. (1998). "Chemical Similarity Searching" (PDF). Journal of Chemical Information and Computer Science 38: 983–996. doi:10.1021/ci9800211.

[Johnson1990-4] A. M. Johnson, G. M. Maggiora (1990). Concepts and Applications of Molecular Similarity. New York: John Willey & Sons. ISBN 0-471-62175-7.

[Nikolova2003-5] 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.

[Martin2002-6] 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.

[Schnecke2006-7] 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.

[pmid18600572-8] 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.

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案内

案内

structural analog