Linked Life Data

18353509

Source:http://linkedlifedata.com/resource/pubmed/id/18353509

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
11
pubmed:dateCreated
2008-10-28
pubmed:abstractText
The structure-activity models of the myorelaxant activity of the cromakalim analogues have been investigated with nearly 470 topological descriptors from DRAGON software using Combinatorial Protocol in Multiple Linear Regression (CP-MLR). Among the descriptor classes considered in the study, the binding affinity is correlated with simple functional (FUN), topological (TOPO), atom centered fragments (ACF), empirical (EMP), modified Burden eigenvalues (BCUT), Galvez topological charge indices (GVZ), 2D-autocorrelation (2D-AUTO) and constitutional (CONS) descriptors. The models developed, and the participating descriptors suggest that the substituent groups of 4,6-disubstituted-2,2-dimethylchromans hold scope for further modification in the optimization of activity. The higher path lengths rich in polarizability and lower path length rich in atomic mass in addition to the lower charge indices of the molecule are beneficiary to the activity. The participating descriptors also suggested that certain structural features such as carbon atoms attached to the heteroatom by single or multiple bonding, and lesser or 'no' branching in a molecule are helpful to augment the activity.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Nov
pubmed:issn
0223-5234
pubmed:author
pubmed:issnType
Print
pubmed:volume
43
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
2354-60
pubmed:meshHeading
pubmed:year
2008
pubmed:articleTitle
QSAR study about ATP-sensitive potassium channel activation of cromakalim analogues using CP-MLR approach.
pubmed:affiliation
Department of Engineering Chemistry, Sobhasaria Engineering College, Sikar 332 021, India.
pubmed:publicationType
Journal Article