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Table 1 QFIT scores of the designed glitazones

From: Novel glitazones as PPARγ agonists: molecular design, synthesis, glucose uptake activity and 3D QSAR studies

Sl. no. Compound QFIT Sl. no. Compound QFIT
1. Pioglitazone 96.24 14 CPD16 61.56
2. CPD19 86.45 15 CPD24 60.30
3. CPD07 86.45 16 CPD22 60.00
4. CPD21 86.45 17 CPD10 58.29
5. CPD03 85.31 18 CPD13 58.02
6. CPD20 85.12 19 CPD23 55.03
7. CPD08 85.06 20 CPD17 54.67
8. CPD14 81.29 21 CPD09 54.67
9. CPD12 74.24 22 CPD15 52.33
10. CPD11 74.24 23 CPD06 52.33
11. CPD04 74.24 24 CPD02 50.45
12. CPD05 68.29 25 CPD01 50.45
13. CPD18 61.56
  1. To validate the derived pharmacophore model decoy set of 1724 molecules from ZINC databasewere searched against built pharmacophore QUERY. Finally the number of hits was calculated by considering the QFIT > 50
  2. Number of hits (Ha) obtained from active dataset = 24
  3. Number of hits (Hd) obtained from decoy dataset = 12
  4. Number of actives (A) = 2234, number of decoy (D) = 1724