Linked Life Data

19132416

Source:http://linkedlifedata.com/resource/pubmed/id/19132416

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
7
pubmed:dateCreated
2009-5-19
pubmed:abstractText
Diabetes remains a life-threatening disease. The clinical profile of diabetic subjects is often worsened by the presence of several long-term complications, for example neuropathy, nephropathy, retinopathy, and cataract. Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were performed on a series of 2,4-thiazolidinediones derivatives as aldose reductase (ALR2) inhibitors. Molecular ligand superimposition on a template structure was finished by the database alignment method. The 3D-QSAR models resulted from 44 molecules gave q (2) values of 0.773 and 0.817, r (2) values of 0.981 and 0.979 for CoMFA and CoMSIA, respectively. The contour maps from the models indicated that a large volume group next to the R-substituent will increase the ALR2 inhibitory activity. In fact, adding a -CH(2)COOH substituent at the R-position would generate a new compound with higher predicted activity.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jul
pubmed:issn
0948-5023
pubmed:author
pubmed:issnType
Electronic
pubmed:volume
15
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
837-45
pubmed:meshHeading
pubmed:year
2009
pubmed:articleTitle
CoMFA and CoMSIA analysis of 2,4-thiazolidinediones derivatives as aldose reductase inhibitors.
pubmed:affiliation
Department of Material and Chemical Engineering, Guilin University of Technology, 541004 Guilin, People's Republic of China.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't