{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,27]],"date-time":"2026-03-27T21:59:27Z","timestamp":1774648767597,"version":"3.50.1"},"reference-count":16,"publisher":"Oxford University Press (OUP)","issue":"11","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2012,6,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>Motivation: 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.<\/jats:p>\n               <jats:p>Availability: e-Drug3D collections are freely available at http:\/\/chemoinfo.ipmc.cnrs.fr\/e-drug3d.html either for download or for direct in silico web-based screenings.<\/jats:p>\n               <jats:p>Contact: \u00a0douguet@ipmc.cnrs.fr<\/jats:p>\n               <jats:p>Supplementary information: \u00a0Supplementary data are available at Bioinformatics online.<\/jats:p>","DOI":"10.1093\/bioinformatics\/bts186","type":"journal-article","created":{"date-parts":[[2012,4,27]],"date-time":"2012-04-27T01:38:05Z","timestamp":1335490685000},"page":"1540-1541","source":"Crossref","is-referenced-by-count":121,"title":["e-Drug3D: 3D structure collections dedicated to drug repurposing and fragment-based drug design"],"prefix":"10.1093","volume":"28","author":[{"given":"Emilie","family":"Pihan","sequence":"first","affiliation":[{"name":"1 Institut de Pharmacologie Mol\u00e9culaire et Cellulaire, CNRS UMR7275, Universit\u00e9 Nice \u2013 Sophia Antipolis, 660, route des lucioles 06560 Valbonne and 2Centre de Biochimie Structurale, INSERM U1054, CNRS UMR5048 \u2013 Universit\u00e9 Montpellier 1 et 2, Montpellier, France"}]},{"given":"Lionel","family":"Colliandre","sequence":"additional","affiliation":[{"name":"1 Institut de Pharmacologie Mol\u00e9culaire et Cellulaire, CNRS UMR7275, Universit\u00e9 Nice \u2013 Sophia Antipolis, 660, route des lucioles 06560 Valbonne and 2Centre de Biochimie Structurale, INSERM U1054, CNRS UMR5048 \u2013 Universit\u00e9 Montpellier 1 et 2, Montpellier, France"}]},{"given":"Jean-Fran\u00e7ois","family":"Guichou","sequence":"additional","affiliation":[{"name":"1 Institut de Pharmacologie Mol\u00e9culaire et Cellulaire, CNRS UMR7275, Universit\u00e9 Nice \u2013 Sophia Antipolis, 660, route des lucioles 06560 Valbonne and 2Centre de Biochimie Structurale, INSERM U1054, CNRS UMR5048 \u2013 Universit\u00e9 Montpellier 1 et 2, Montpellier, France"}]},{"given":"Dominique","family":"Douguet","sequence":"additional","affiliation":[{"name":"1 Institut de Pharmacologie Mol\u00e9culaire et Cellulaire, CNRS UMR7275, Universit\u00e9 Nice \u2013 Sophia Antipolis, 660, route des lucioles 06560 Valbonne and 2Centre de Biochimie Structurale, INSERM U1054, CNRS UMR5048 \u2013 Universit\u00e9 Montpellier 1 et 2, Montpellier, France"}]}],"member":"286","published-online":{"date-parts":[[2012,4,26]]},"reference":[{"key":"2023012512312213400_B1","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1126\/science.1158140","article-title":"Drug target identification using side-effect similarity","volume":"321","author":"Campillos","year":"2008","journal-title":"Science"},{"key":"2023012512312213400_B2","doi-asserted-by":"crossref","first-page":"876","DOI":"10.1016\/S1359-6446(03)02831-9","article-title":"A \u2018rule of three\u2019 for fragment-based lead discovery?","volume":"8","author":"Congreve","year":"2003","journal-title":"Drug Discov. 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