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Table 3 Docking scores of compounds with respect to PPARγ protein

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

Sl. no. Compound Total score Crash score Polar score
1. CPD19 7.7081 − 1.3004 2.3039
2. CPD20 7.5315 − 0.5913 5.4173
3. CPD22 7.3343 − 1.6674 4.0673
4. CPD07 7.2051 − 1.9381 4.7489
5. CPD14 7.8855 − 1.6489 3.761
6. Pioglitazone 7.7679 − 0.692 5.0003
7. CPD24 7.7392 − 0.5356 3.7936
8. CPD15 7.6704 − 0.4739 4.1586
9. CPD13 7.6558 − 0.6428 3.1524
10. CPD21 7.1337 − 0.7975 3.6808
11. CPD03 6.5258 − 0.7834 3.645
12. CPD16 5.4123 − 0.6506 3.0827
13. CPD18 5.4092 − 0.4971 3.0934
14. CPD09 5.3794 − 2.0629 5.5779
15. CPD04 5.0546 − 0.8747 3.314
16. CPD17 4.9768 − 0.5406 2.5312
17. CPD06 4.8464 − 0.4294 2.7807
18. CPD12 4.7746 − 0.2911 3.6919
19. CPD02 4.3294 − 0.5312 3.2295
20. CPD23 4.2525 − 0.3915 2.3399
21. CPD05 4.2156 − 1.7538 2.8872
22. CPD10 3.9722 − 0.6071 1.9545
23. CPD11 3.8578 − 1.0167 3.0595
24. CPD01 3.8079 − 0.7685 3.1815
25. CPD08 3.6961 − 0.5147 3.4152
  1. Crash score: revealing the inappropriate penetration into the binding site
  2. Polar score: reports the polar region of the ligands