Linked Life Data

1151985

Source:http://linkedlifedata.com/resource/pubmed/id/1151985

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
7
pubmed:dateCreated
1975-10-30
pubmed:abstractText
Quantum chemical calculations including extensive conformational variations are performed on three morphine-like analgesics with varying N-substituents using the PCILO and INDO methods. The three compounds, morphine, nalorphine, and N-phenethylmorphine, have been shown experimentally to exemplify opiate narcotic agonism, antagonism, and increased agonism, respectively. In this study, these properties are correlated with the electronic and conformational results. The electronic properties of the fused ring skeleton including specifically the cationic region around the nitrogen are relatively unaffected by varying N-substituents. The properties studied include net charges, bond polarities, and the nature and energy of the highest filled and lowest empty molecular orbitals. The conformational behavior appears to be the main cause of differing receptor binding and interaction with the active site and is discussed in these terms.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jul
pubmed:issn
0022-2623
pubmed:author
pubmed:issnType
Print
pubmed:volume
18
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
656-62
pubmed:dateRevised
2006-11-15
pubmed:meshHeading
pubmed:year
1975
pubmed:articleTitle
Quantum chemical studies of morphine-like opiate narcotics. Effect of N-substituent variations.
pubmed:publicationType
Journal Article, Research Support, U.S. Gov't, Non-P.H.S.