Linked Life Data

20801662

Source:http://linkedlifedata.com/resource/pubmed/id/20801662

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
19
pubmed:dateCreated
2010-9-20
pubmed:abstractText
A series of novel openphendioxan analogues were synthesized and tested at ?(1)-adrenoreceptor (AR) subtypes by binding and functional assays. The ?(1d)-AR binding profile was also examined by means of 2D, 3D-QSAR together with docking studies. Multiple regression analysis suggested the relevance of adequate number of heteroatoms in the whole molecule and of passive membrane diffusion to enhance ?(1d)-AR affinity. Docking simulations against a computational structural model of the biological target further proved this evidence and furnished support for chemiometric analysis, where polar, electrostatic, hydrophobic and shape effects of the ortho substituents in the phenoxy terminal, most likely governing ligand binding, helped the depiction of pharmacophore hypothesis for the examined ligands data set.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Oct
pubmed:issn
1464-3391
pubmed:author
pubmed:copyrightInfo
Copyright © 2010 Elsevier Ltd. All rights reserved.
pubmed:issnType
Electronic
pubmed:day
1
pubmed:volume
18
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
7065-77
pubmed:meshHeading
pubmed:year
2010
pubmed:articleTitle
Structure-activity relationships in 1,4-benzodioxan-related compounds. 10. Novel ?1-adrenoreceptor antagonists related to openphendioxan: synthesis, biological evaluation, and ?1d computational study.
pubmed:affiliation
Dipartimento Farmaco-Chimico, Università di Bari, via Orabona 4, 70125 Bari, Italy. carrieri@farmchim.uniba.it
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't