Linked Life Data

19026537

Source:http://linkedlifedata.com/resource/pubmed/id/19026537

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
1
pubmed:dateCreated
2008-12-26
pubmed:abstractText
High subtype selectivity (alpha4beta2 over alpha2beta3) of neuronal nicotinic acetylcholine receptor (nAChR) agonists is critical for the rational design of less toxic drugs used for the treatment of neurodegenerative and psychiatric diseases. Here, three CoMFA models of pEC(50)(alpha4beta2), pEC(50)(alpha2beta3) and p[EC(50)(alpha4beta2)/EC(50)(alpha2beta3)] (pEC(50)(alpha4beta2)pEC(50)(alpha2beta3)) were developed to study the quantitative structure-activity relationship (QSAR) and quantitative structure-selectivity relationship (QSSR) of the 3,8-diazabicyclo[4.2.0]octane derivatives as nAChRs agonists. The parameters of the three models were 0.584, 0.792, and 0.599 for cross-validated r(2) (r(2)(CV)), 0.924, 0.935 and 0.875 for conventional r(2). Analyses indicated that both the steric and electrostatic factors should be considered in the rational design of more active and selective nAChR agonists.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jan
pubmed:issn
1464-3405
pubmed:author
pubmed:issnType
Electronic
pubmed:day
1
pubmed:volume
19
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
127-31
pubmed:meshHeading
pubmed:year
2009
pubmed:articleTitle
3D-QSAR and QSSR studies of 3,8-diazabicyclo[4.2.0]octane derivatives as neuronal nicotinic acetylcholine receptors by comparative molecular field analysis (CoMFA).
pubmed:affiliation
Burnham Institute for Medical Research, La Jolla, CA 92037, USA. maoye@burnham.org
pubmed:publicationType
Journal Article, Research Support, U.S. Gov't, Non-P.H.S.