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Protocols

KEGG DRUG specifications

Information


Unique identifier OMICS_05434
Name KEGG DRUG
Restrictions to use None
Maintained Yes

Maintainer


  • person_outline Kae Morishima

Publication for KEGG DRUG

KEGG DRUG citations

 (11)
library_books

Mordred: a molecular descriptor calculator

2018
J Cheminform
PMCID: 5801138
PMID: 29411163
DOI: 10.1186/s13321-018-0258-y

[…] calculation of molecular descriptors, we performed a benchmark test. All tests were performed on an Intel® Core™ i7-5930 K CPU, DDR4-2133 (quad channel) 64 GB memory machine. We used entries from the KEGG-drug database [] as the benchmark target. We obtained 3D structures from the LigandBox database []. Compounds in the dataset were converted from Tripos mol2 format to MDL mol format using Open Ba […]

library_books

RNAseq based transcriptomics study of SMCs from carotid atherosclerotic plaque: BMP2 and IDs proteins are crucial regulators of plaque stability

2017
Sci Rep
PMCID: 5471186
PMID: 28615715
DOI: 10.1038/s41598-017-03687-9

[…] uctor package, to search for biological processes involved in plaque unstability. This tool screens for genes in specific databases (i.e. Gene Ontology – GO, Kyoto Encyclopedia of Genes and Genomes – KEGG, DRUG, etc) to evaluate biological annotations that rise as over-represented with respect to the whole genome. Gene networks were generated using GeneMANIA software (http://www.genemania.org/). G […]

call_split

Novel aromatase inhibitors selection using induced fit docking and extra precision methods: Potential clinical use in ER alpha positive breast cancer

2016
Bioinformation
PMCID: 5320928
PMID: 28293075
DOI: 10.6026/97320630012324
call_split See protocol

[…] A total set of 45 drug molecules were identified by Transfacand KEGG databases which target and metabolize aromataseenzyme. Out of 45 identified drugs, 42 were downloaded from drug bank [] and KEGG Drug [] databases for carrying out docking studies. The remaining 3 drugs (p-Bromophenol, rhodethrin and rubrivivaxin) were sketched in ChemDrawUltra 13.0 (http://www.cambridgesoft.com/Ensemblef […]

library_books

Drug Repurposing Is a New Opportunity for Developing Drugs against Neuropsychiatric Disorders

2016
PMCID: 4814692
PMID: 27073698
DOI: 10.1155/2016/6378137

[…] In addition to the NIMH PDSP database, other chemical databases are available. For example, Ligand Expo [], ZINC [], and KEGG DRUG [] databases integrate diverse information such as molecular pathways, binding experiments, and drug targets. One of the large public databases, PubChem, containing the results from many scr […]

library_books

In Silico Identification and In Vitro and In Vivo Validation of Anti Psychotic Drug Fluspirilene as a Potential CDK2 Inhibitor and a Candidate Anti Cancer Drug

2015
PLoS One
PMCID: 4493148
PMID: 26147897
DOI: 10.1371/journal.pone.0132072

[…] a source of approved drugs, although we chose the dbap and fda catalogs of the ZINC database [, ], it is also possible to use some other freely accessible drug databases such as NCGC [], DrugBank [], KEGG DRUG [] and e-Drug 3D [].After ensemble docking experiments with idock [, ] followed by careful visual inspections with iview [], we purchased nine top-ranking compounds for subsequent wet experi […]

library_books

Gene Ontology and KEGG Pathway Enrichment Analysis of a Drug Target Based Classification System

2015
PLoS One
PMCID: 4423955
PMID: 25951454
DOI: 10.1371/journal.pone.0126492

[…] vestigation. KEGG (Kyoto Encyclopedia of Genes and Genomes) provides a drug target-based classification system in which drugs are classified into several classes according to their target proteins in KEGG DRUG (http://www.genome.jp/kegg/drug/) [].Here, we adapted this classification database and divided all 2,015 drugs into following nine classes based on their targets: (1) 657 drugs that target G […]

Citations

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KEGG DRUG institution(s)
Bioinformatics Center, Institute for Chemical Research, Kyoto University, Uji, Kyoto, Japan; Human Genome Center, Institute of Medical Science, University of Tokyo, Minato-ku, Tokyo, japan; Life Science Solutions Department, Fujitsu Kyushu Systems Ltd., Sawara-ku, Fukuoka, Japan
KEGG DRUG funding source(s)
Supported by the Japan Science and Technology Agency (KEGG project, partial); Bioinformatics Center, Institute for Chemical Research, Kyoto University (computational resource).

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