Source:http://linkedlifedata.com/resource/pubmed/id/12419382
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| Predicate | Object |
|---|---|
| rdf:type | |
| lifeskim:mentions | |
| pubmed:issue |
23
|
| pubmed:dateCreated |
2002-11-6
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| pubmed:abstractText |
Quantitative structure-activity relationships (QSAR) for HIV-1 protease inhibitory activity of substituted tetrahydropyrimidinones have been produced using CODESSA PRO methodology and software. The best four-parameter equation (R(2)(cv)=0.847) allowed us to reveal two main structural factors which are strongly correlated with the title activity: molecular hydrophobicity and ability to form hydrogen bonds with the target enzyme.
|
| pubmed:language |
eng
|
| pubmed:journal | |
| pubmed:citationSubset |
IM
|
| pubmed:chemical | |
| pubmed:status |
MEDLINE
|
| pubmed:month |
Dec
|
| pubmed:issn |
0960-894X
|
| pubmed:author | |
| pubmed:issnType |
Print
|
| pubmed:day |
2
|
| pubmed:volume |
12
|
| pubmed:owner |
NLM
|
| pubmed:authorsComplete |
Y
|
| pubmed:pagination |
3453-7
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| pubmed:dateRevised |
2010-11-18
|
| pubmed:meshHeading |
pubmed-meshheading:12419382-HIV Protease Inhibitors,
pubmed-meshheading:12419382-HIV-1,
pubmed-meshheading:12419382-Hydrogen Bonding,
pubmed-meshheading:12419382-Hydrophobic and Hydrophilic Interactions,
pubmed-meshheading:12419382-Kinetics,
pubmed-meshheading:12419382-Pyrimidinones,
pubmed-meshheading:12419382-Quantitative Structure-Activity Relationship,
pubmed-meshheading:12419382-Regression Analysis,
pubmed-meshheading:12419382-Software,
pubmed-meshheading:12419382-Urea
|
| pubmed:year |
2002
|
| pubmed:articleTitle |
Six-membered cyclic ureas as HIV-1 protease inhibitors: a QSAR study based on CODESSA PRO approach. Quantitative structure-activity relationships.
|
| pubmed:affiliation |
Center for Heterocyclic Compounds, Department of Chemistry, University of Florida, Gainesville 32611-7200, USA. katritzky@chem.ufl.edu
|
| pubmed:publicationType |
Journal Article
|