e-Drug3D: 3D structure collections dedicated to drug repurposing and fragment-based drug design | Zendy

Émilie Pihan | Zendy; Lionel Colliandre | Zendy; JeanFrançois Guichou | Zendy; Dominique Douguet | Zendy

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e-Drug3D: 3D structure collections dedicated to drug repurposing and fragment-based drug design

Author(s) -

Émilie Pihan,

Lionel Colliandre,

JeanFrançois Guichou,

Dominique Douguet

Publication year - 2012

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/bts186

Subject(s) - drug repositioning , in silico , fragment (logic) , computer science , repurposing , drug discovery , drug , computational biology , bioinformatics , pharmacology , medicine , chemistry , biology , programming language , ecology , biochemistry , gene

In the drug discovery field, new uses for old drugs, selective optimization of side activities and fragment-based drug design (FBDD) have proved to be successful alternatives to high-throughput screening. e-Drug3D is a database of 3D chemical structures of drugs that provides several collections of ready-to-screen SD files of drugs and commercial drug fragments. They are natural inputs in studies dedicated to drug repurposing and FBDD.

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