Pharmacophore identification and 3D-QSAR studies in N-(2-benzoyl phenyl)-L-tyrosines as PPAR gamma agonists.
The identification of pharmacophore and three dimensional quantitative structure-activity studies have been performed on a set of N-(2-Benzoylphenyl)-L-tyrosine for their PPARgamma agonist activity by using the logico-structural based software Apex 3D-which describes the properties and distribution of primary and secondary biophore sites in the three dimensional space. Among several models, two models of comparable probability were selected on the basis of R(2)>0.60, chance </=0.04, size <4, match >0.20. These models showed a good correlation between the observed and predicted biological activity both for training and test sets.
Rathi
Lalit
L
Medicinal Chemistry Division, Central Drug Research Institute, Lucknow -226001, India.
Kashaw
Sushil K
SK
Dixit
Anshuman
A
Pandey
Gyanendra
G
Saxena
Anil K
AK
D008958:Models, Molecular; D020675:Peroxisomes / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship; D018160:Receptors, Cytoplasmic and Nuclear / Q000819:agonists*; D014157:Transcription Factors / Q000819:agonists*; D014443:Tyrosine / Q000737:chemistry* / Q000494:pharmacology*
D018160:Receptors, Cytoplasmic and Nuclear; D014157:Transcription Factors; D014443:Tyrosine