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Predicate | Object |
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
7
|
pubmed:dateCreated |
1982-10-21
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pubmed:abstractText |
Computer graphics modeling of the thyroxine-prealbumin complex provides a detailed picture of the interactions between thyroxine and prealbumin. A wide variety of thyroid hormone analogue-prealbumin complexes were modeled by calculating the molecular surfaces of the analogues and the prealbumin hormone-binding site. Analogues with high binding affinity were observed to fill more of the hormone-binding site than low-affinity analogues. These surface models described many aspects of the hormone-protein interaction which were not obvious using simple wire models and led us to develop a model which accounts for thyroid hormone-prealbumin structure-activity relationships and ultimately to predict and measure the relative binding affinities of four previously untested thyroid hormone analogues to prealbumin.
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pubmed:grant | |
pubmed:language |
eng
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pubmed:journal | |
pubmed:citationSubset |
IM
|
pubmed:chemical | |
pubmed:status |
MEDLINE
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pubmed:month |
Jul
|
pubmed:issn |
0022-2623
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pubmed:author | |
pubmed:issnType |
Print
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pubmed:volume |
25
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
785-90
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pubmed:dateRevised |
2008-11-21
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pubmed:meshHeading |
pubmed-meshheading:7108895-Chemistry, Pharmaceutical,
pubmed-meshheading:7108895-Chemistry, Physical,
pubmed-meshheading:7108895-Computers,
pubmed-meshheading:7108895-Humans,
pubmed-meshheading:7108895-Models, Molecular,
pubmed-meshheading:7108895-Physicochemical Phenomena,
pubmed-meshheading:7108895-Prealbumin,
pubmed-meshheading:7108895-Protein Binding,
pubmed-meshheading:7108895-Serum Albumin,
pubmed-meshheading:7108895-Structure-Activity Relationship,
pubmed-meshheading:7108895-Thyroid Hormones,
pubmed-meshheading:7108895-X-Ray Diffraction
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pubmed:year |
1982
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pubmed:articleTitle |
Computer graphics in drug design: molecular modeling of thyroid hormone-prealbumin interactions.
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pubmed:publicationType |
Journal Article,
Research Support, U.S. Gov't, P.H.S.,
Research Support, Non-U.S. Gov't
|