|
rdf:type |
|
|
lifeskim:mentions |
|
|
pubmed:issue |
11
|
|
pubmed:dateCreated |
2008-6-5
|
|
pubmed:abstractText |
Conformation of bicyclic guanidines with kappa-opioid receptor activity derived in our laboratory from a positional scanning synthetic combinatorial library is presented in this work. We propose a common bioactive conformation and putative pharmacophoric features by means of 3D similarity methods. Our 'Y' shape molecular binding model explains structure-activity relationships and suggests that the guanidine functionality and a 4-methoxybenzyl group may be involved in key interactions with the receptor. Comparison of our model with known opiates suggest a similar binding mode showing that the bicyclic guanidines presented in this work are suitable scaffolds for further development of new opioid receptors ligands.
|
|
pubmed:grant |
|
|
pubmed:commentsCorrections |
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-10508425,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-10893314,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-10926528,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-12514724,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-15327956,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-16353922,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-16402099,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-16584119,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-16796388,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-16902710,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-17177390,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-17201411,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-17591764,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-17640664,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-17927720,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-18067268,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-2723659,
http://linkedlifedata.com/resource/pubmed/commentcorrection/18468907-7801131
|
|
pubmed:language |
eng
|
|
pubmed:journal |
|
|
pubmed:citationSubset |
IM
|
|
pubmed:chemical |
http://linkedlifedata.com/resource/pubmed/chemical/Bicyclo Compounds, Heterocyclic,
http://linkedlifedata.com/resource/pubmed/chemical/Guanidine,
http://linkedlifedata.com/resource/pubmed/chemical/Receptors, Opioid,
http://linkedlifedata.com/resource/pubmed/chemical/Receptors, Opioid, delta,
http://linkedlifedata.com/resource/pubmed/chemical/Receptors, Opioid, mu
|
|
pubmed:status |
MEDLINE
|
|
pubmed:month |
Jun
|
|
pubmed:issn |
1464-3391
|
|
pubmed:author |
|
|
pubmed:issnType |
Electronic
|
|
pubmed:day |
1
|
|
pubmed:volume |
16
|
|
pubmed:owner |
NLM
|
|
pubmed:authorsComplete |
Y
|
|
pubmed:pagination |
5932-8
|
|
pubmed:dateRevised |
2009-11-18
|
|
pubmed:meshHeading |
pubmed-meshheading:18468907-Bicyclo Compounds, Heterocyclic,
pubmed-meshheading:18468907-Binding Sites,
pubmed-meshheading:18468907-Combinatorial Chemistry Techniques,
pubmed-meshheading:18468907-Computational Biology,
pubmed-meshheading:18468907-Guanidine,
pubmed-meshheading:18468907-Nucleic Acid Conformation,
pubmed-meshheading:18468907-Receptors, Opioid,
pubmed-meshheading:18468907-Receptors, Opioid, delta,
pubmed-meshheading:18468907-Receptors, Opioid, mu,
pubmed-meshheading:18468907-Thermodynamics
|
|
pubmed:year |
2008
|
|
pubmed:articleTitle |
Conformation-opioid activity relationships of bicyclic guanidines from 3D similarity analysis.
|
|
pubmed:affiliation |
Torrey Pines Institute for Molecular Studies, 5775 Old Dixie Highway, Fort Pierce, FL 34946, USA. kmartinez@tpims.org
|
|
pubmed:publicationType |
Journal Article,
Comparative Study,
Research Support, Non-U.S. Gov't,
Research Support, N.I.H., Extramural
|
