| pubmed-article:11412976 | rdf:type | pubmed:Citation | lld:pubmed |
| pubmed-article:11412976 | lifeskim:mentions | umls-concept:C0389003 | lld:lifeskim |
| pubmed-article:11412976 | lifeskim:mentions | umls-concept:C1565860 | lld:lifeskim |
| pubmed-article:11412976 | lifeskim:mentions | umls-concept:C1705323 | lld:lifeskim |
| pubmed-article:11412976 | lifeskim:mentions | umls-concept:C0538927 | lld:lifeskim |
| pubmed-article:11412976 | lifeskim:mentions | umls-concept:C1441672 | lld:lifeskim |
| pubmed-article:11412976 | lifeskim:mentions | umls-concept:C0679083 | lld:lifeskim |
| pubmed-article:11412976 | lifeskim:mentions | umls-concept:C2699007 | lld:lifeskim |
| pubmed-article:11412976 | pubmed:issue | 12 | lld:pubmed |
| pubmed-article:11412976 | pubmed:dateCreated | 2001-6-19 | lld:pubmed |
| pubmed-article:11412976 | pubmed:abstractText | Computational studies have yielded an analysis of the contributions to the free energy difference between the binding of celecoxib to COX-1 and to COX-2. The energetic and structural results point to the Ile to Val mutation at residue 523 as the key contributor to COX-2 selectivity; unfavorable steric contact between a sulfonamide oxygen and the delta methyl group of Ile523 destabilizes the complex with COX-1. The His to Arg change at residue 513 is less significant. | lld:pubmed |
| pubmed-article:11412976 | pubmed:grant | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:11412976 | pubmed:language | eng | lld:pubmed |
| pubmed-article:11412976 | pubmed:journal | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:11412976 | pubmed:citationSubset | IM | lld:pubmed |
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| pubmed-article:11412976 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
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| pubmed-article:11412976 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
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| pubmed-article:11412976 | pubmed:status | MEDLINE | lld:pubmed |
| pubmed-article:11412976 | pubmed:month | Jun | lld:pubmed |
| pubmed-article:11412976 | pubmed:issn | 0960-894X | lld:pubmed |
| pubmed-article:11412976 | pubmed:author | pubmed-author:PriceM LML | lld:pubmed |
| pubmed-article:11412976 | pubmed:author | pubmed-author:JorgensenW... | lld:pubmed |
| pubmed-article:11412976 | pubmed:issnType | Print | lld:pubmed |
| pubmed-article:11412976 | pubmed:day | 18 | lld:pubmed |
| pubmed-article:11412976 | pubmed:volume | 11 | lld:pubmed |
| pubmed-article:11412976 | pubmed:owner | NLM | lld:pubmed |
| pubmed-article:11412976 | pubmed:authorsComplete | Y | lld:pubmed |
| pubmed-article:11412976 | pubmed:pagination | 1541-4 | lld:pubmed |
| pubmed-article:11412976 | pubmed:dateRevised | 2007-11-14 | lld:pubmed |
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| pubmed-article:11412976 | pubmed:year | 2001 | lld:pubmed |
| pubmed-article:11412976 | pubmed:articleTitle | Rationale for the observed COX-2/COX-1 selectivity of celecoxib from Monte Carlo simulations. | lld:pubmed |
| pubmed-article:11412976 | pubmed:affiliation | Department of Chemistry, Yale University, New Haven, CT 06520, USA. | lld:pubmed |
| pubmed-article:11412976 | pubmed:publicationType | Journal Article | lld:pubmed |
| pubmed-article:11412976 | pubmed:publicationType | Research Support, U.S. Gov't, P.H.S. | lld:pubmed |
| http://linkedlifedata.com/r... | http://linkedlifedata.com/r... | pubmed-article:11412976 | lld:chembl |
| http://linkedlifedata.com/r... | pubmed:referesTo | pubmed-article:11412976 | lld:pubmed |
