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.jpg): Failed to open stream: No such file or directory in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 117 J+Cheminform
2015 ; 7
(ä): 31
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Metrabase: a cheminformatics and bioinformatics database for small molecule
transporter data analysis and (Q)SAR modeling
#MMPMID26106450
Mak L
; Marcus D
; Howlett A
; Yarova G
; Duchateau G
; Klaffke W
; Bender A
; Glen RC
J Cheminform
2015[]; 7
(ä): 31
PMID26106450
show ga
Both metabolism and transport are key elements defining the bioavailability and
biological activity of molecules, i.e. their adverse and therapeutic effects.
Structured and high quality experimental data stored in a suitable container,
such as a relational database, facilitates easy computational processing and thus
allows for high quality information/knowledge to be efficiently inferred by
computational analyses. Our aim was to create a freely accessible database that
would provide easy access to data describing interactions between proteins
involved in transport and xenobiotic metabolism and their small molecule
substrates and modulators. We present Metrabase, an integrated cheminformatics
and bioinformatics resource containing curated data related to human transport
and metabolism of chemical compounds. Its primary content includes over 11,500
interaction records involving nearly 3,500 small molecule substrates and
modulators of transport proteins and, currently to a much smaller extent,
cytochrome P450 enzymes. Data was manually extracted from the published
literature and supplemented with data integrated from other available resources.
Metrabase version 1.0 is freely available under a CC BY-SA 4.0 license at
http://www-metrabase.ch.cam.ac.uk.