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

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Abstract

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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Author and article information

Journal

Journal ID (iso-abbrev): Bioinformatics

Title: Bioinformatics (Oxford, England)

Publisher: Oxford University Press (OUP)

ISSN (Electronic): 1367-4811

ISSN (Print): 1367-4803

Publication date (Electronic): Jun 01 2012

Volume: 28

Issue: 11

Affiliations

[1 ] Institut de Pharmacologie Moléculaire et Cellulaire, CNRS UMR7275, Université Nice-Sophia Antipolis, 660 route des lucioles, Valbonne, France.

Article

Publisher Item ID: bts186

DOI: 10.1093/bioinformatics/bts186

PubMed ID: 22539672

SO-VID: 5265fdf2-6baa-402f-b74d-921690216ff3

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