Linked Life Data

15018923

Source:http://linkedlifedata.com/resource/pubmed/id/15018923

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
6
pubmed:dateCreated
2004-3-15
pubmed:abstractText
A Quantitative Structure-Activity Relationship (QSAR) study has been carried out using topological indices, physicochemical and indicator parameters on a series of HEPT analogues for their HIV reverse transcriptase inhibitory activity. Correlation analysis and multiple linear regression (MLR) method were used to find out the best QSAR model. The results clearly explained that decreased hydrophobicity of substituents at R(1) and R(2) positions are favorable for the activity and presence of di-substitution at phenyl ring as well as i-Pr at R(1) position have detrimental effect but presence of OH group at R(2) position increases the activity. The atoms numbered as 1, 2, 3, 4, 5, 6 and 11 may constitute pharmacophore moiety of the HEPT analogues for their anti-HIV activity. Leave one out (LOO-) cross validation method was used to judge the predictive power of final equations. From the study one can propose that atom or fragmental level descriptors are more useful to interpret drug-receptor interactions in these analogues. The potentiality of ETSA index to recognize these atoms (Pharmacophoric atoms) was established.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Mar
pubmed:issn
0968-0896
pubmed:author
pubmed:issnType
Print
pubmed:day
15
pubmed:volume
12
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
1493-503
pubmed:dateRevised
2010-11-18
pubmed:meshHeading
pubmed:year
2004
pubmed:articleTitle
QSAR study on some anti-HIV HEPT analogues using physicochemical and topological parameters.
pubmed:affiliation
Department of Pharmaceutical Technology, PO Box No 17020, Jadavpur University, Kolkata-700 032, India.
pubmed:publicationType
Journal Article, Comparative Study, Research Support, Non-U.S. Gov't