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Indian Journal of Chemistry -Section B (IJC-B) >
IJC-B Vol.45B [2006] >
IJC-B Vol.45B(05) [May 2006] >
| Title: | QSAR analysis of 5-aryl thiazolidine-2,4-diones as PPAR- and PPAR- agonists |
| Authors: | Hemlatha, R
Soni, L K
Gupta, A K
Kaskhedikar, S G |
| Keywords: | QSAR analysis
thiazolidine-2,4-diones
peroxisome
proliferator activated receptor (PPAR- /) agonist |
| Issue Date: | May-2006 |
| Publisher: | CSIR |
| IPC Code: | Int.Cl.8 C 07 D |
| Abstract: | A quantitative structure activity relationship (QSAR) study on a series of analogs of 5-arylthiazolidine-2, 4-diones with activity on PPAR- and PPAR- has been made using combination of various thermodynamic, electronic and spatial descriptors. Several statistical regression expressions are obtained using multiple linear regression analysis. The best QSAR model is further validated by leave one out cross validation method. The studies reveal that for dual PPAR-/ activity modification at R2 position in molecule is more favourable and also lower value of resultant dipole moment play a key role in activity. Thus, QSAR brings important structural insight to aid the design of dual PPAR-/ receptor agonist. |
| Page(s): | 1242-1249 |
| ISSN: | 0975-0983(Online); 0376-4699(Print) |
| Source: | IJC-B Vol.45B(05) [May 2006]
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