PubChem applications in drug discovery: a bibliometric analysis

被引：44

作者：

Cheng, Tiejun ^{[1
]}

Pans, Yongmei ^{[1
]}

Hao, Ming ^{[1
]}

Wang, Yanli ^{[1
]}

Bryant, Stephen H. ^{[1
]}

机构：

[1] Natl Lib Med, Natl Ctr Biotechnol Informat, NIH, Bethesda, MD 20894 USA

来源：

DRUG DISCOVERY TODAY | 2014年 / 19卷 / 11期

关键词：

SMALL-MOLECULE; IDENTIFICATION; INHIBITORS; DATABASE; TOOL; VISUALIZATION; METABONOMICS; ONTOLOGY; PROTEIN; SYSTEM;

D O I：

10.1016/j.drudis.2014.08.008

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

A bibliometric analysis of Pub Chem applications is presented by reviewing 1132 research articles. The massive volume of chemical structure and bioactivity data in Pub Chem and its online services have been used globally in various fields including chemical biology, medicinal chemistry and informatics research. Pub Chem supports drug discovery in many aspects such as lead identification and optimization, compound-target profiling, polypharmacology studies and unknown chemical identity elucidation. Pub Chem has also become a valuable resource for developing secondary databases, informatics tools and web services. The growing Pub Chem resource with its public availability offers support and great opportunities for the interrogation of pharmacological mechanisms and the genetic basis of diseases, which are vital for drug innovation and repurposing.

引用

页码：1751 / 1756

页数：6

共 59 条

[1] Novel Anti-inflammatory Activity of Epoxyazadiradione against Macrophage Migration Inhibitory Factor INHIBITION OF TAUTOMERASE AND PROINFLAMMATORY ACTIVITIES OF MACROPHAGE MIGRATION INHIBITORY FACTOR [J].

Alam, Athar ;

Haldar, Saikat ;

Thulasiram, Hirekodathakallu V. ;

Kumar, Rahul ;

Goyal, Manish ;

Iqbal, Mohd Shameel ;

Pal, Chinmay ;

Dey, Sumanta ;

Bindu, Samik ;

Sarkar, Souvik ;

Pal, Uttam ;

Maiti, Nakul C. ;

Bandyopadhyay, Uday .

JOURNAL OF BIOLOGICAL CHEMISTRY, 2012, 287 (29) :24844-24861

[2] ChemMine tools: an online service for analyzing and clustering small molecules [J].

Backman, Tyler W. H. ;

Cao, Yiqun ;

Girke, Thomas .

NUCLEIC ACIDS RESEARCH, 2011, 39 :W486-W491

[3]

Bolton EE, 2010, ANN REP COMP CHEM, V4, P217, DOI 10.1016/S1574-1400(08)00012-1

[4] Benchmarking Ligand-Based Virtual High-Throughput Screening with the PubChem Database [J].

Butkiewicz, Mariusz ;

Lowe, Edward W., Jr. ;

Mueller, Ralf ;

Mendenhall, Jeffrey L. ;

Teixeira, Pedro L. ;

Weaver, C. David ;

Meiler, Jens .

MOLECULES, 2013, 18 (01) :735-756

[5] Automatically Detecting Workflows in PubChem [J].

Calhoun, Bradley T. ;

Browning, Michael R. ;

Chen, Brian R. ;

Bittker, Joshua A. ;

Swamidass, S. Joshua .

JOURNAL OF BIOMOLECULAR SCREENING, 2012, 17 (08) :1071-1079

[6] PubChem as a Source of Polypharmacology [J].

Chen, Bin ;

Wild, David ;

Guha, Rajarshi .

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2009, 49 (09) :2044-2055

[7] Prediction of Molecular Targets of Cancer Preventing Flavonoid Compounds Using Computational Methods [J].

Chen, Hanyong ;

Yao, Ke ;

Nadas, Janos ;

Bode, Ann M. ;

Malakhova, Margarita ;

Oi, Naomi ;

Li, Haitao ;

Lubet, Ronald A. ;

Dong, Zigang .

PLOS ONE, 2012, 7 (05)

[8]

Cheng Qian, 2013, Methods Mol Biol, V987, P71, DOI 10.1007/978-1-62703-321-3_6

[9] Structure-Activity Relationship Study Reveals ML240 and ML241 as Potent and Selective Inhibitors of p97 ATPase [J].

Chou, Tsui-Fen ;

Li, Kelin ;

Frankowski, Kevin J. ;

Schoenen, Frank J. ;

Deshaies, Raymond J. .

CHEMMEDCHEM, 2013, 8 (02) :297-312

[10] Integrating Constitutive Gene Expression and Chemoactivity: Mining the NCI60 Anticancer Screen [J].

Covell, David G. .

PLOS ONE, 2012, 7 (10)

← 1 2 3 4 5 6 →