Table 3 Docking scores of compounds with respect to PPARγ protein
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 |