| pubmed-article:18201064 | rdf:type | pubmed:Citation | lld:pubmed |
| pubmed-article:18201064 | lifeskim:mentions | umls-concept:C0086418 | lld:lifeskim |
| pubmed-article:18201064 | lifeskim:mentions | umls-concept:C0036751 | lld:lifeskim |
| pubmed-article:18201064 | lifeskim:mentions | umls-concept:C0597357 | lld:lifeskim |
| pubmed-article:18201064 | lifeskim:mentions | umls-concept:C0034838 | lld:lifeskim |
| pubmed-article:18201064 | lifeskim:mentions | umls-concept:C1415815 | lld:lifeskim |
| pubmed-article:18201064 | lifeskim:mentions | umls-concept:C1167622 | lld:lifeskim |
| pubmed-article:18201064 | lifeskim:mentions | umls-concept:C2603343 | lld:lifeskim |
| pubmed-article:18201064 | lifeskim:mentions | umls-concept:C0870071 | lld:lifeskim |
| pubmed-article:18201064 | lifeskim:mentions | umls-concept:C0243071 | lld:lifeskim |
| pubmed-article:18201064 | pubmed:issue | 3 | lld:pubmed |
| pubmed-article:18201064 | pubmed:dateCreated | 2008-2-8 | lld:pubmed |
| pubmed-article:18201064 | pubmed:abstractText | A population of 100 graphics models of the human 5-HT6 serotonin receptor was constructed based on the structure of bovine rhodopsin. The endogenous tryptamine-based agonist serotonin (5-HT; 1) and the benzenesulfonyl-containing tryptamine-derived 5-HT6 receptor antagonist MS-245 (4a) were automatically docked with each of the 100 receptor models using a genetic algorithm approach. Similar studies were conducted with the more selective 5-HT6 receptor agonist EMDT (5) and optical isomers of EMDT-related analog 8, as well as with optical isomers of MS-245 (4a)-related and benzenesulfonyl-containing pyrrolidine 6 and aminotetralin 7. Although associated with the same general aromatic/hydrophobic binding cluster, 5-HT (1) and MS-245 (4a) were found to preferentially bind with distinct receptor conformations, and did so with different binding orientations (i.e., poses). A 5-HT pose/model was found to be common to EMDT (5) and its analogs, whereas that identified for MS-245 (4a) was found common to benzenesulfonyl-containing compounds. Specific amino acid residues were identified that can participate in binding, and evaluation of a sulfenamide analog of MS-245 indicates for the first time that the presence of the sulfonyl oxygen atoms enhances receptor affinity. The results indicate that the presence or absence of an N1-benzenesulfonyl group is a major determinant of the manner in which tryptamine-related agents bind at 5-HT6 serotonin receptors. | lld:pubmed |
| pubmed-article:18201064 | pubmed:grant | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201064 | pubmed:grant | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201064 | pubmed:grant | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201064 | pubmed:language | eng | lld:pubmed |
| pubmed-article:18201064 | pubmed:journal | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201064 | pubmed:citationSubset | IM | lld:pubmed |
| pubmed-article:18201064 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201064 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201064 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201064 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201064 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201064 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201064 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201064 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201064 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201064 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201064 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201064 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201064 | pubmed:status | MEDLINE | lld:pubmed |
| pubmed-article:18201064 | pubmed:month | Feb | lld:pubmed |
| pubmed-article:18201064 | pubmed:issn | 0022-2623 | lld:pubmed |
| pubmed-article:18201064 | pubmed:author | pubmed-author:DukatMa?gorza... | lld:pubmed |
| pubmed-article:18201064 | pubmed:author | pubmed-author:GlennonRichar... | lld:pubmed |
| pubmed-article:18201064 | pubmed:author | pubmed-author:RothBryan LBL | lld:pubmed |
| pubmed-article:18201064 | pubmed:author | pubmed-author:MosierPhilip... | lld:pubmed |
| pubmed-article:18201064 | pubmed:author | pubmed-author:KolanosRenata... | lld:pubmed |
| pubmed-article:18201064 | pubmed:issnType | Print | lld:pubmed |
| pubmed-article:18201064 | pubmed:day | 14 | lld:pubmed |
| pubmed-article:18201064 | pubmed:volume | 51 | lld:pubmed |
| pubmed-article:18201064 | pubmed:owner | NLM | lld:pubmed |
| pubmed-article:18201064 | pubmed:authorsComplete | Y | lld:pubmed |
| pubmed-article:18201064 | pubmed:pagination | 603-11 | lld:pubmed |
| pubmed-article:18201064 | pubmed:dateRevised | 2010-11-18 | lld:pubmed |
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| pubmed-article:18201064 | pubmed:year | 2008 | lld:pubmed |
| pubmed-article:18201064 | pubmed:articleTitle | Binding of serotonin and N1-benzenesulfonyltryptamine-related analogs at human 5-HT6 serotonin receptors: receptor modeling studies. | lld:pubmed |
| pubmed-article:18201064 | pubmed:affiliation | Department of Medicinal Chemistry, School of Pharmacy, Medical College of Virginia Campus, Virginia Commonwealth University, Richmond, VA 23298-0540, USA. | lld:pubmed |
| pubmed-article:18201064 | pubmed:publicationType | Journal Article | lld:pubmed |
| pubmed-article:18201064 | pubmed:publicationType | Research Support, Non-U.S. Gov't | lld:pubmed |
| pubmed-article:18201064 | pubmed:publicationType | Research Support, N.I.H., Extramural | lld:pubmed |
| http://linkedlifedata.com/r... | http://linkedlifedata.com/r... | pubmed-article:18201064 | lld:chembl |
