An exploration of the 3D chemical space has highlighted a specific shape profile for the compounds intended to inhibit protein-protein interactions

被引：0

作者：

Mélaine A Kuenemann

Laura ML Bourbon

Céline M Labbé

Bruno O Villoutreix

Olivier Sperandio

机构：

[1] Université Paris Diderot,

[2] Sorbonne Paris Cité,undefined

[3] UMRS 973 Inserm,undefined

[4] Inserm,undefined

[5] U973,undefined

[6] CDithem,undefined

[7] Faculté de Pharmacie,undefined

来源：

BMC Bioinformatics | / 16卷

关键词：

Chemical Space; Shape Profile; Hydrophobic Patch; Discovery Project; Representative Subset;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

引用

共 16 条

[1]

Wang R(2004)The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures Journal of medicinal chemistry 47 2977-2980

[2]

Fang X(2000)VolSurf: a new tool for the pharmacokinetic optimization of lead compounds European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 11 S29-39

[3]

Lu Y(2013)iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein-protein interactions Drug discovery today 18 958-968

[4]

Wang S(2012)e-Drug3D: 3D structure collections dedicated to drug repurposing and fragment-based drug design Bioinformatics 28 1540-1541

[5]

Cruciani G(undefined)undefined undefined undefined undefined-undefined

[6]

Pastor M(undefined)undefined undefined undefined undefined-undefined

[7]

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[8]

Labbé CM(undefined)undefined undefined undefined undefined-undefined

[9]

Laconde G(undefined)undefined undefined undefined undefined-undefined

[10]

Kuenemann MA(undefined)undefined undefined undefined undefined-undefined

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