Scaffold Distributions in Bioactive Molecules, Clinical Trials Compounds, and Drugs

被引：19

作者：

Hu, Ye ^{[1
]}

Bajorath, Juergen ^{[1
]}

机构：

[1] Univ Bonn, Dept Life Sci Informat, B IT, LIMES Program Unit Chem Biol & Med Chem, D-53113 Bonn, Germany

来源：

CHEMMEDCHEM | 2010年 / 5卷 / 02期

关键词：

bioactive molecules; clinical trials compounds; drugs; molecular scaffolds; scaffold distributions; statistical analysis; MEDICINAL CHEMISTRY; DATABASES; FRAGMENTS; SUBSTRUCTURES; DISCOVERY; SPACE;

D O I：

10.1002/cmdc.200900419

中图分类号：

R914 [药物化学];

学科分类号：

100705 [微生物与生化药学];

摘要：

(Figure Presented) Analysis of pharmaceutically relevant molecular frameworks: Structural features of compounds at different stages of pharmaceutical development were analyzed and compared. Shown here is a Venn diagram that compares scaffold sets extracted from bioactive molecules, clinical trials compounds, and drugs. © 2010 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

收藏

页码：187 / 190

页数：4

相关论文

共 28 条

[1]

*ACC INC, 2009, SCIT PIP PIL

[2]

Kinase-likeness and kinase-privileged fragments: Toward virtual polypharmacology [J].

Aronov, Alex M. ;

McClain, Brian ;

Moody, Cameron Stuver ;

Murcko, Mark A. .

JOURNAL OF MEDICINAL CHEMISTRY, 2008, 51 (05) :1214-1222

[3]

Mining of randomly generated molecular fragment populations uncovers activity-specific fragment hierarchies [J].

Batista, Jose ;

Bajorath, Juergen .

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2007, 47 (04) :1405-1413

[4]

The properties of known drugs .1. Molecular frameworks [J].

Bemis, GW ;

Murcko, MA .

JOURNAL OF MEDICINAL CHEMISTRY, 1996, 39 (15) :2887-2893

[5]

Detection and Assignment of Common Scaffolds in Project Databases of Lead Molecules [J].

Clark, Alex M. ;

Labute, Paul .

JOURNAL OF MEDICINAL CHEMISTRY, 2009, 52 (02) :469-483

[6]

Fragment-based drug discovery [J].

Erlanson, DA ;

McDowell, RS ;

O'Brien, T .

JOURNAL OF MEDICINAL CHEMISTRY, 2004, 47 (14) :3463-3482

[7]

fragment-based ligand discovery [J].

Fischer, Marcus ;

Hubbard, Roderick E. .

MOLECULAR INTERVENTIONS, 2009, 9 (01) :22-30

[8]

A decade of fragment-based drug design: strategic advances and lessons learned [J].

Hajduk, Philip J. ;

Greer, Jonathan .

NATURE REVIEWS DRUG DISCOVERY, 2007, 6 (03) :211-219

[9]

Can the pharmaceutical industry reduce attrition rates? [J].

Kola, I ;

Landis, J .

NATURE REVIEWS DRUG DISCOVERY, 2004, 3 (08) :711-715

[10]

The influence of drug-like concepts on decision-making in medicinal chemistry [J].

Leeson, Paul D. ;

Springthorpe, Brian .

NATURE REVIEWS DRUG DISCOVERY, 2007, 6 (11) :881-890