| pubmed-article:18006321 | rdf:type | pubmed:Citation | lld:pubmed |
| pubmed-article:18006321 | lifeskim:mentions | umls-concept:C0220908 | lld:lifeskim |
| pubmed-article:18006321 | lifeskim:mentions | umls-concept:C0244988 | lld:lifeskim |
| pubmed-article:18006321 | lifeskim:mentions | umls-concept:C0243077 | lld:lifeskim |
| pubmed-article:18006321 | lifeskim:mentions | umls-concept:C0679622 | lld:lifeskim |
| pubmed-article:18006321 | lifeskim:mentions | umls-concept:C1553497 | lld:lifeskim |
| pubmed-article:18006321 | lifeskim:mentions | umls-concept:C0205314 | lld:lifeskim |
| pubmed-article:18006321 | lifeskim:mentions | umls-concept:C1705294 | lld:lifeskim |
| pubmed-article:18006321 | pubmed:issue | 2 | lld:pubmed |
| pubmed-article:18006321 | pubmed:dateCreated | 2008-2-1 | lld:pubmed |
| pubmed-article:18006321 | pubmed:abstractText | Glycogen synthase kinase-3 (GSK-3beta) has been emerging as a key therapeutic target for type-2 diabetics, Alzheimer's disease, cancer, and chronic inflammation. For the purpose of finding biologically active and novel compounds and providing new idea for drug-design, we performed virtual screening using commercially available database. Three-dimensional common feature pharmacophore model was developed by using HipHop program provided in Catalyst software and it was used as a query for screening database. Recursive partitioning (RP) model was developed as a filtering system, which was able to classify active and inactive compounds. Eventually, a sequential virtual screening procedure (SQSP) was conducted by applying the common feature pharmacophore and RP model in succession to discover novel potent GSK-3beta inhibitors. The final 56 hit compounds were carefully selected considering predicted docking mode in crystal structures. Subsequent enzyme assay for human GSK-3beta protein confirmed that three compounds of these hit compounds exhibit micromolar inhibitory activity. Here, we report novel hit compounds and their binding mode in the active site of GSK-3beta crystal structure. | lld:pubmed |
| pubmed-article:18006321 | pubmed:language | eng | lld:pubmed |
| pubmed-article:18006321 | pubmed:journal | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18006321 | pubmed:citationSubset | IM | lld:pubmed |
| pubmed-article:18006321 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18006321 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18006321 | pubmed:status | MEDLINE | lld:pubmed |
| pubmed-article:18006321 | pubmed:month | Jan | lld:pubmed |
| pubmed-article:18006321 | pubmed:issn | 1464-3391 | lld:pubmed |
| pubmed-article:18006321 | pubmed:author | pubmed-author:ChooHyunahH | lld:pubmed |
| pubmed-article:18006321 | pubmed:author | pubmed-author:NoKyoung... | lld:pubmed |
| pubmed-article:18006321 | pubmed:author | pubmed-author:PaeAe NimAN | lld:pubmed |
| pubmed-article:18006321 | pubmed:author | pubmed-author:ChoYong SeoYS | lld:pubmed |
| pubmed-article:18006321 | pubmed:author | pubmed-author:KimHye-JungHJ | lld:pubmed |
| pubmed-article:18006321 | pubmed:issnType | Electronic | lld:pubmed |
| pubmed-article:18006321 | pubmed:day | 15 | lld:pubmed |
| pubmed-article:18006321 | pubmed:volume | 16 | lld:pubmed |
| pubmed-article:18006321 | pubmed:owner | NLM | lld:pubmed |
| pubmed-article:18006321 | pubmed:authorsComplete | Y | lld:pubmed |
| pubmed-article:18006321 | pubmed:pagination | 636-43 | lld:pubmed |
| pubmed-article:18006321 | pubmed:dateRevised | 2011-11-2 | lld:pubmed |
| pubmed-article:18006321 | pubmed:meshHeading | pubmed-meshheading:18006321... | lld:pubmed |
| pubmed-article:18006321 | pubmed:meshHeading | pubmed-meshheading:18006321... | lld:pubmed |
| pubmed-article:18006321 | pubmed:meshHeading | pubmed-meshheading:18006321... | lld:pubmed |
| pubmed-article:18006321 | pubmed:meshHeading | pubmed-meshheading:18006321... | lld:pubmed |
| pubmed-article:18006321 | pubmed:meshHeading | pubmed-meshheading:18006321... | lld:pubmed |
| pubmed-article:18006321 | pubmed:meshHeading | pubmed-meshheading:18006321... | lld:pubmed |
| pubmed-article:18006321 | pubmed:meshHeading | pubmed-meshheading:18006321... | lld:pubmed |
| pubmed-article:18006321 | pubmed:meshHeading | pubmed-meshheading:18006321... | lld:pubmed |
| pubmed-article:18006321 | pubmed:meshHeading | pubmed-meshheading:18006321... | lld:pubmed |
| pubmed-article:18006321 | pubmed:meshHeading | pubmed-meshheading:18006321... | lld:pubmed |
| pubmed-article:18006321 | pubmed:year | 2008 | lld:pubmed |
| pubmed-article:18006321 | pubmed:articleTitle | Novel GSK-3beta inhibitors from sequential virtual screening. | lld:pubmed |
| pubmed-article:18006321 | pubmed:affiliation | Life Science Division, Korea Institute of Science and Technology, PO Box 131, Cheongryang, Seoul 130-650, South Korea. | lld:pubmed |
| pubmed-article:18006321 | pubmed:publicationType | Journal Article | lld:pubmed |
| pubmed-article:18006321 | pubmed:publicationType | Research Support, Non-U.S. Gov't | lld:pubmed |
| http://linkedlifedata.com/r... | http://linkedlifedata.com/r... | pubmed-article:18006321 | lld:chembl |
| http://linkedlifedata.com/r... | pubmed:referesTo | pubmed-article:18006321 | lld:pubmed |
