Drug discovery FAQs: workflows for answering multidomain drug discovery questions

被引：15

作者：

Chichester, Christine ^{[1
]}

Digles, Daniela ^{[2
]}

Siebes, Ronald ^{[3
]}

Loizou, Antonis ^{[3
]}

Groth, Paul ^{[3
]}

Harland, Lee ^{[4
]}

机构：

[1] Swiss Inst Bioinformat, CALIPHO Grp, CMU, CH-1211 Geneva, Switzerland

[2] Univ Vienna, Dept Med Chem, Pharmacoinformat Res Grp, A-1090 Vienna, Austria

[3] Vrije Univ Amsterdam, NL-1081 HV Amsterdam, Netherlands

[4] Connected Discovery Ltd, London WC1N 3AX, England

来源：

DRUG DISCOVERY TODAY | 2015年 / 20卷 / 04期

关键词：

KNIME;

D O I：

10.1016/j.drudis.2014.11.006

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

Modern data-driven drug discovery requires integrated resources to support decision-making and enable new discoveries. The Open PHACTS Discovery Platform (http://dev.openphacts.org) was built to address this requirement by focusing on drug discovery questions that are of high priority to the pharmaceutical industry. Although complex, most of these frequently asked questions (FAQs) revolve around the combination of data concerning compounds, targets, pathways and diseases. Computational drug discovery using workflow tools and the integrated resources of Open PHACTS can deliver answers to most of these questions. Here, we report on a selection of workflows used for solving these use cases and discuss some of the research challenges. The workflows are accessible online from myExperiment (http://www.myexperiment.org) and are available for reuse by the scientific community.

引用

页码：399 / 405

页数：7

共 50 条

[31] The Drug Discovery Portal: a resource to enhance drug discovery from academia
Clark, Rachel L.
Johnston, Blair F.
Mackay, Simon P.
Breslin, Catherine J.
Robertson, Murray N.
Harvey, Alan L.
[J]. DRUG DISCOVERY TODAY, 2010, 15 (15-16) : 679 - 683
[32] The Virginia Tech Center for Drug Discovery and the Virginia Drug Discovery Consortium
Kingston, David George Ian
[J]. FASEB JOURNAL, 2016, 30
[33] Drug metabolism in drug discovery and development
Zhang, Zhoupeng
Tang, Wei
[J]. ACTA PHARMACEUTICA SINICA B, 2018, 8 (05) : 721 - 732
[34] Drug Repositioning An Approach for Drug Discovery
Vora, Parin K.
Somani, Rakesh R.
Jain, Madhuri H.
[J]. MINI-REVIEWS IN ORGANIC CHEMISTRY, 2016, 13 (05) : 363 - 376
[35] DRUG DISCOVERY Engineering drug combinations
Dixon, Scott J.
Stockwell, Brent R.
[J]. NATURE CHEMICAL BIOLOGY, 2010, 6 (05) : 318 - 319
[36] Biosensors in Drug Discovery and Drug Analysis
Aydin, Elif Burcu
Aydin, Muhammet
Sezginturk, Mustafa Kemal
[J]. CURRENT ANALYTICAL CHEMISTRY, 2019, 15 (04) : 467 - 484
[37] Drug metabolism in drug discovery and development
Zhoupeng Zhang
Wei Tang
[J]. Acta Pharmaceutica Sinica B, 2018, 8 (05) : 721 - 732
[38] Drug metabolism and pharmacokinetics in drug discovery
Roberts, SA
[J]. CURRENT OPINION IN DRUG DISCOVERY & DEVELOPMENT, 2003, 6 (01) : 66 - 80
[39] Biosensors in drug discovery and drug analysis
Yu, DH
Blankert, B
Viré, JC
Kauffmann, JM
[J]. ANALYTICAL LETTERS, 2005, 38 (11) : 1687 - 1701
[40] Antibiotic drug discovery
Wohlleben, Wolfgang
Mast, Yvonne
Stegmann, Evi
Ziemert, Nadine
[J]. MICROBIAL BIOTECHNOLOGY, 2016, 9 (05): : 541 - 548

← 1 2 3 4 5 →