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pubmed-article:16337379pubmed:abstractTextWe identified new lead candidates which showed potent dual inhibition against phosphodiesterase-1 and 5 by a ligand-based virtual screening optimized for lead evolution. This virtual screening method, consisting of classification and regression tree analysis using 168 2-center pharmacophore descriptors and 12 macroscopic descriptors, demonstrated a high predictive ability for bioactivity of new chemical compounds. The obtained lead candidates were structurally diverse, although only the structure-activity relationship data of hydroxamic acid derivatives were used to configure the prediction model for the virtual screening.lld:pubmed
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pubmed-article:16337379pubmed:authorpubmed-author:YamazakiKazut...lld:pubmed
pubmed-article:16337379pubmed:authorpubmed-author:KanaokaMasaha...lld:pubmed
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pubmed-article:16337379pubmed:authorpubmed-author:FujitaKatsuya...lld:pubmed
pubmed-article:16337379pubmed:authorpubmed-author:SatoHideshiHlld:pubmed
pubmed-article:16337379pubmed:authorpubmed-author:AsanoShigehir...lld:pubmed
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pubmed-article:16337379pubmed:pagination1371-9lld:pubmed
pubmed-article:16337379pubmed:dateRevised2006-11-15lld:pubmed
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pubmed-article:16337379pubmed:articleTitleIdentification of phosphodiesterase-1 and 5 dual inhibitors by a ligand-based virtual screening optimized for lead evolution.lld:pubmed
pubmed-article:16337379pubmed:affiliationSumitomo Pharmaceuticals Co., Ltd, 1-98, Kasugade Naka 3-Chome, Konohana-ku, Osaka 554-0022, Japan. kazuto-yamazaki@ds-pharma.co.jplld:pubmed
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