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SLAS discovery : Advancing life sciences R&D, v.22 no.6, 2017년, pp.655 - 666
Wang, Yanli (National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD, USA) , Cheng, Tiejun (National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD, USA) , Bryant, Stephen H. (National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD, USA)
퍼브켐 바이오애세이: 오픈 HTS(고속 대량 스크리닝) 데이터 공유를 향한 10년 동안의 개발
HTS(고속 대량 스크리닝)는 이제 제약 회사와 학술 기관 및 대학의 스크리닝 센터에서 약품 발견을 위해 일상적으로 실시됩니다. 분석 개발, 로봇 자동화 및 컴퓨터 기술의 급속한 발전으로 스크리닝 실험실에서 테라바이트의 데이터가 생성되고 있습니다. HTS 생산성 향상을 위한 기술 개발에도 불구하고 HTS 데이터 통합 및 공유에 대한 노력이 줄어 들었습니다. 그 결과 엄청난 양의 HTS 데이터가 거의 대중에게 공개되지 않았습니다. 이러한 격차를 메우고 화학 물질 및 RNAi 시약에 대해 테스트된 스크리닝 결과에 공개적으로 액세스할 수 있도록 2004년 퍼브켐 바이오애세이 데이터베이스(https://www.ncbi.nlm.nih.gov/pcassay/)가 설치되었습니다. 퍼브켐은 커뮤니티에서 10년이 넘는 개발과 기여를 통해 화학 구조 및 생물학 데이터와 관련된 가장 큰 공공 저장소로 진화했으며, 약물 개발, 의약 화학 연구 및 화학 생물학 연구를 지원하는 전세계 연구자에게 정보 플랫폼을 제공합니다. 여기에서는 퍼브켐 바이오애세이 데이터베이스의 HTS 데이터 내용과 정보 검색 및 데이터 공유를 자극하기 위한 데이터 증착 진행 상황에 대해 검토합니다. 또한 신규 사용자가 손쉽게 정보에 액세스하고 사용할 수 있도록 도와주는 데이터베이스의 데이터 표준 및 기본 유틸리티에 대해 설명합니다.
AI-Helper
High-throughput screening (HTS) is now routinely conducted for drug discovery by both pharmaceutical companies and screening centers at academic institutions and universities. Rapid advance in assay development, robot automation, and computer technology has led to the generation of terabytes of data...
1 Macarron R. Banks M. N. Bojanic D. Impact of High-Throughput Screening in Biomedical Research . Nat. Rev. Drug Discov . 2011 , 10 , 188 – 195 . 21358738
2 Mohr S. E. Smith J. A. Shamu C. E. RNAi Screening Comes of Age: Improved Techniques and Complementary Approaches . Nat. Rev. Mol. Cell Biol . 2014 , 15 , 591 – 600 . 25145850
3 Mayr L. M. Bojanic D. Novel Trends in High-Throughput Screening . Curr. Opin. Pharmacol . 2009 , 9 , 580 – 588 . 19775937
4 Tralau-Stewart C. J. Wyatt C. A. Kleyn D. E. Drug Discovery: New Models for Industry-Academic Partnerships . Drug Discov. Today 2009 , 14 , 95 – 101 . 18992364
5 Frearson J. A. Collie I. T. HTS and Hit Finding in Academia—From Chemical Genomics to Drug Discovery . Drug Discov. Today 2009 , 14 , 1150 – 1158 . 19793546
6 Roy A. McDonald P. R. Sittampalam S. Open Access High Throughput Drug Discovery in the Public Domain: A Mount Everest in the Making . Curr. Pharm. Biotechnol . 2010 , 11 , 764 – 778 . 20809896
7 Marta G. The Access Principle: The Case for Open Access to Research and Scholarship . Emerg. Infect. Diseases 2006 , 12 , 1473 .
8 Harnad S. Brody T. Vallières F. The Access/Impact Problem and the Green and Gold Roads to Open Access . Ser. Rev . 2004 , 30 , 310 – 314 .
9 Butler D. Scientific Publishing: Who Will Pay for Open Access? Nature 2003 , 425 , 554 – 555 . 14534559
10 Bolton E. E. Wang Y. Thiessen P. A. PubChem: Integrated Platform of Small Molecules and Biological Activities . In Annual Reports in Computational Chemistry ; Ralph A. W. David C. S. Eds.; Elsevier : Amsterdam , 2008 ; pp 217 – 241 .
11 Austin C. P. Brady L. S. Insel T. R. NIH Molecular Libraries Initiative . Science 2004 , 306 , 1138 – 1139 . 15542455
12 Cheng T. Pan Y. Hao M. PubChem Applications in Drug Discovery: A Bibliometric Analysis . Drug Discov. Today 2014 , 19 , 1751 – 1756 . 25168772
13 Bento A. P. Gaulton A. Hersey A. The ChEMBL Bioactivity Database: An Update . Nucleic Acids Res . 2014 , 42 , D1083 – D1090 . 24214965
14 Southan C. Sharman J. L. Benson H. E. The IUPHAR/BPS Guide to Pharmacology in 2016: Towards Curated Quantitative Interactions between 1300 Protein Targets and 6000 Ligands . Nucleic Acids Res . 2016 , 44 , D1054 – D1068 . 26464438
15 Gilson M. K. Liu T. Baitaluk M. BindingDB in 2015: A Public Database for Medicinal Chemistry, Computational Chemistry and Systems Pharmacology . Nucleic Acids Res . 2016 , 44 , D1045 – D1053 . 26481362
16 Liu Z. Li Y. Han L. PDB-Wide Collection of Binding Data: Current Status of the PDBbind Database . Bioinformatics 2015 , 31 , 405 – 412 . 25301850
17 Wang Y. Xiao J. Suzek T. O. PubChem: A Public Information System for Analyzing Bioactivities of Small Molecules . Nucleic Acids Res . 2009 , 37 , W623 – W633 . 19498078
18 Wang Y. Bryant S. Cheng T. PubChem BioAssay : 2017 update. Nucleic Acids Res 2016 . doi: 10.1093/nar/gkw1118 .
19 Wang Y. Bolton E. Dracheva S. An Overview of the PubChem BioAssay Resource . Nucleic Acids Res . 2010 , 38 , D255 – D66 . 19933261
20 Wang Y. Xiao J. Suzek T. O. PubChem’s BioAssay Database . Nucleic Acids Res . 2012 , 40 , D400 – D412 . 22140110
21 Wang Y. Suzek T. Zhang J. PubChem BioAssay: 2014 Update . Nucleic Acids Res . 2014 , 42 , D1075 – D1082 . 24198245
22 Wassermann A. M. Lounkine E. Hoepfner D. Dark Chemical Matter as a Promising Starting Point for Drug Lead Discovery . Nat. Chem. Biol . 2015 , 11 , 958 – 966 . 26479441
23 Helal K. Y. Maciejewski M. Gregori-Puigjane E. Public Domain HTS Fingerprints: Design and Evaluation of Compound Bioactivity Profiles from PubChem’s Bioassay Repository . J. Chem. Inf. Model . 2016 , 56 , 390 – 398 . 26898267
24 Kim M. T. Huang R. Sedykh A. Mechanism Profiling of Hepatotoxicity Caused by Oxidative Stress Using Antioxidant Response Element Reporter Gene Assay Models and Big Data . Environ. Health Perspect . 2016 , 124 , 634 – 641 . 26383846
25 Zhu H. Zhang J. Kim M. T. Big Data in Chemical Toxicity Research: The Use of High-Throughput Screening Assays to Identify Potential Toxicants . Chem. Res. Toxicol . 2014 , 27 , 1643 – 1651 . 25195622
26 Shan C. Elf S. Ji Q. Lysine Acetylation Activates 6-Phosphogluconate Dehydrogenase to Promote Tumor Growth . Mol. Cell . 2014 , 55 , 552 – 565 . 25042803
27 Kim S. Getting the Most out of PubChem for Virtual Screening . Expert Opin. Drug Discov . 2016 , 11 , 843 – 855 . 27454129
28 Driscoll J. S. The Preclinical New Drug Research Program of the National Cancer Institute . Cancer Treat. Rep . 1984 , 68 , 63 – 76 . 6692438
29 Judson R. Houck K. Martin M. Analysis of the Effects of Cell Stress and Cytotoxicity on In Vitro Assay Activity across a Diverse Chemical and Assay Space . Toxicol. Sci . 2016 , 153 , 409 . 27605417
30 Chen S. Hsieh J. H. Huang R. Cell-Based High-Throughput Screening for Aromatase Inhibitors in the Tox21 10K Library . Toxicol. Sci . 2015 , 147 , 446 – 457 . 26141389
31 Wambaugh J. F. Wang A. Dionisio K. L. High Throughput Heuristics for Prioritizing Human Exposure to Environmental Chemicals . Environ. Sci. Technol . 2014 , 48 , 12760 – 12767 . 25343693
32 Tolopko A. N. Sullivan J. P. Erickson S. D. Screensaver: An Open Source Lab Information Management System (LIMS) for High Throughput Screening Facilities . BMC Bioinformatics 2010 , 11 , 260 . 20482787
33 Pena I. Pilar Manzano M. Cantizani J. New Compound Sets Identified from High Throughput Phenotypic Screening against Three Kinetoplastid Parasites: An Open Resource . Sci. Rep . 2015 , 5 , 8771 . 25740547
34 Lin R. Elf S. Shan C. 6-Phosphogluconate Dehydrogenase Links Oxidative PPP, Lipogenesis and Tumour Growth by Inhibiting LKB1-AMPK Signalling . Nat. Chem. Biol . 2015 , 17 , 1484 – 1496 .
35 Voter A. F. Manthei K. A. Keck J. L. A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway . J. Biomol. Screen . 2016 , 21 , 626 – 633 . 26962873
36 Flockhart I. T. Booker M. Hu Y. FlyRNAi . org—The Database of the Drosophila RNAi Screening Center: 2012 Update . Nucleic Acids Res . 2012 , 40 , D715 – D719 . 22067456
37 Falkenberg K. J. Gould C. M. Johnstone R. W. Genome-Wide Functional Genomic and Transcriptomic Analyses for Genes Regulating Sensitivity to Vorinostat . Sci. Data 2014 , 1 , 140017 . 25977774
38 Zhang E. E. Liu A. C. Hirota T. A Genome-Wide RNAi Screen for Modifiers of the Circadian Clock in Human Cells . Cell 2009 , 139 , 199 – 210 . 19765810
39 Sundaramurthy V. Barsacchi R. Chernykh M. Deducing the Mechanism of Action of Compounds Identified in Phenotypic Screens by Integrating Their Multiparametric Profiles with a Reference Genetic Screen . Nat. Protoc . 2014 , 9 , 474 – 490 . 24481274
40 Dandapani S. Marcaurelle L. A. Grand Challenge Commentary: Accessing New Chemical Space for ‘Undruggable’ Targets . Nat. Chem. Biol . 2010 , 6 , 861 – 863 . 21079589
41 Xie X. Q. Chen J. Z. Data Mining a Small Molecule Drug Screening Representative Subset from NIH PubChem . J. Chem. Inf. Model . 2008 , 48 , 465 – 475 . 18302356
42 Schreiber S. L. Kotz J. D. Li M. Advancing Biological Understanding and Therapeutics Discovery with Small-Molecule Probes . Cell 2015 , 161 , 1252 – 1265 . 26046436
43 Inglese J. Auld D. S. Jadhav A. Quantitative High-Throughput Screening: A Titration-Based Approach That Efficiently Identifies Biological Activities in Large Chemical Libraries . Proc. Natl. Acad. Sci. U.S.A . 2006 , 103 , 11473 – 11478 . 16864780
44 Walsh K. B. Teijaro J. R. Rosen H. Quelling the Storm: Utilization of Sphingosine-1-Phosphate Receptor Signaling to Ameliorate Influenza Virus-Induced Cytokine Storm . Immunol. Res . 2011 , 51 , 15 – 25 . 21901448
45 Dillon M. B. Bachovchin D. A. Brown S. J. Novel Inhibitors for PRMT1 Discovered by High-Throughput Screening Using Activity-Based Fluorescence Polarization . ACS Chem. Biol . 2012 , 7 , 1198 – 1204 . 22506763
46 Read K. B. Sheehan J. R. Huerta M. F. Sizing the Problem of Improving Discovery and Access to NIH-Funded Data: A Preliminary Study . PLoS One 2015 , 10 , e0132735 . 26207759
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