| pubmed-article:20637607 | rdf:type | pubmed:Citation | lld:pubmed |
| pubmed-article:20637607 | lifeskim:mentions | umls-concept:C0521390 | lld:lifeskim |
| pubmed-article:20637607 | lifeskim:mentions | umls-concept:C1522290 | lld:lifeskim |
| pubmed-article:20637607 | lifeskim:mentions | umls-concept:C0082013 | lld:lifeskim |
| pubmed-article:20637607 | lifeskim:mentions | umls-concept:C2603343 | lld:lifeskim |
| pubmed-article:20637607 | pubmed:issue | 16 | lld:pubmed |
| pubmed-article:20637607 | pubmed:dateCreated | 2010-7-27 | lld:pubmed |
| pubmed-article:20637607 | pubmed:abstractText | The high affinity neuronal choline transporter (CHT1) is responsible for the uptake of choline into the pre-synaptic terminal of cholinergic neurons. Considering our past experience with modeling the blood-brain barrier choline transporter (BBBCHT) as drug delivery vector to the CNS, we investigated the 3-D-quantitative structure-activity relationship of the neuronal choline transporter. Comparative molecular field analysis (CoMFA) and comparative similarity index analysis (CoMSIA) yielded cross-validated models with a q(2) of 0.5, and a non-cross validated r(2) of 0.8. The electrostatic results of the 3-D-QSAR models are corroborated with a docking study into the bacterial choline transporter. Using this electrostatic map, we propose a putative binding site in a homology model of the CHT1. Knowledge gained from this study is useful to better understand the CHT1 as well as can be used in medicinal chemistry programs targeting this transporter. | lld:pubmed |
| pubmed-article:20637607 | pubmed:language | eng | lld:pubmed |
| pubmed-article:20637607 | pubmed:journal | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:20637607 | pubmed:citationSubset | IM | lld:pubmed |
| pubmed-article:20637607 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:20637607 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:20637607 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:20637607 | pubmed:status | MEDLINE | lld:pubmed |
| pubmed-article:20637607 | pubmed:month | Aug | lld:pubmed |
| pubmed-article:20637607 | pubmed:issn | 1464-3405 | lld:pubmed |
| pubmed-article:20637607 | pubmed:author | pubmed-author:AllenDavid... | lld:pubmed |
| pubmed-article:20637607 | pubmed:author | pubmed-author:GeldenhuysWer... | lld:pubmed |
| pubmed-article:20637607 | pubmed:author | pubmed-author:LockmanPaul... | lld:pubmed |
| pubmed-article:20637607 | pubmed:copyrightInfo | 2010 Elsevier Ltd. All rights reserved. | lld:pubmed |
| pubmed-article:20637607 | pubmed:issnType | Electronic | lld:pubmed |
| pubmed-article:20637607 | pubmed:day | 15 | lld:pubmed |
| pubmed-article:20637607 | pubmed:volume | 20 | lld:pubmed |
| pubmed-article:20637607 | pubmed:owner | NLM | lld:pubmed |
| pubmed-article:20637607 | pubmed:authorsComplete | Y | lld:pubmed |
| pubmed-article:20637607 | pubmed:pagination | 4870-7 | lld:pubmed |
| pubmed-article:20637607 | pubmed:meshHeading | pubmed-meshheading:20637607... | lld:pubmed |
| pubmed-article:20637607 | pubmed:meshHeading | pubmed-meshheading:20637607... | lld:pubmed |
| pubmed-article:20637607 | pubmed:meshHeading | pubmed-meshheading:20637607... | lld:pubmed |
| pubmed-article:20637607 | pubmed:meshHeading | pubmed-meshheading:20637607... | lld:pubmed |
| pubmed-article:20637607 | pubmed:meshHeading | pubmed-meshheading:20637607... | lld:pubmed |
| pubmed-article:20637607 | pubmed:meshHeading | pubmed-meshheading:20637607... | lld:pubmed |
| pubmed-article:20637607 | pubmed:meshHeading | pubmed-meshheading:20637607... | lld:pubmed |
| pubmed-article:20637607 | pubmed:meshHeading | pubmed-meshheading:20637607... | lld:pubmed |
| pubmed-article:20637607 | pubmed:year | 2010 | lld:pubmed |
| pubmed-article:20637607 | pubmed:articleTitle | 3-D-QSAR and docking studies on the neuronal choline transporter. | lld:pubmed |
| pubmed-article:20637607 | pubmed:affiliation | Department of Pharmaceutical Sciences, Northeastern Ohio Universities Colleges of Medicine and Pharmacy, Rootstown, OH 44272, USA. wgeldenh@neoucom.edu | lld:pubmed |
| pubmed-article:20637607 | pubmed:publicationType | Journal Article | lld:pubmed |
| http://linkedlifedata.com/r... | http://linkedlifedata.com/r... | pubmed-article:20637607 | lld:chembl |
