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rdf:type |
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lifeskim:mentions |
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pubmed:issue |
24
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pubmed:dateCreated |
1994-1-11
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pubmed:abstractText |
The partition coefficient of cyclosporin A (CsA) was measured in octanol/water and heptane/water by centrifugal partition chromatography. By comparison with results from model compounds, it was deduced that the hydrogen-bonding capacity of CsA changed dramatically from an apolar solvent (where it is internally H-bonded) to polar solvents (where it exposes its H-bonding groups to the solvent). Molecular dynamics simulations in water and CCl4 support the suggestion that CsA undergoes a solvent-dependent conformational changes and that the interconversion process is slow on the molecular dynamics time scale.
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pubmed:language |
eng
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pubmed:journal |
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pubmed:citationSubset |
IM
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pubmed:chemical |
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pubmed:status |
MEDLINE
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pubmed:month |
Nov
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pubmed:issn |
0022-2623
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pubmed:author |
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pubmed:issnType |
Print
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pubmed:day |
26
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pubmed:volume |
36
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
3757-64
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pubmed:dateRevised |
2008-11-21
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pubmed:meshHeading |
pubmed-meshheading:8254605-Amino Acid Isomerases,
pubmed-meshheading:8254605-Carbon Tetrachloride,
pubmed-meshheading:8254605-Carrier Proteins,
pubmed-meshheading:8254605-Chemistry, Physical,
pubmed-meshheading:8254605-Chromatography,
pubmed-meshheading:8254605-Computer Simulation,
pubmed-meshheading:8254605-Crystallography, X-Ray,
pubmed-meshheading:8254605-Cyclosporine,
pubmed-meshheading:8254605-Heptanes,
pubmed-meshheading:8254605-Hydrogen Bonding,
pubmed-meshheading:8254605-Models, Molecular,
pubmed-meshheading:8254605-Octanols,
pubmed-meshheading:8254605-Peptidylprolyl Isomerase,
pubmed-meshheading:8254605-Physicochemical Phenomena,
pubmed-meshheading:8254605-Protein Conformation,
pubmed-meshheading:8254605-Solvents
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pubmed:year |
1993
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pubmed:articleTitle |
Solvent-dependent conformation and hydrogen-bonding capacity of cyclosporin A: evidence from partition coefficients and molecular dynamics simulations.
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pubmed:affiliation |
Institut de Chimie Thérapeutique, Ecole de Pharmacie, Université de Lausanne, Switzerland.
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pubmed:publicationType |
Journal Article,
Comparative Study,
Research Support, Non-U.S. Gov't
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