Table 2. Binding interactions of 15 compounds including 10 top alkaloid compounds, namely radicamine A, perlolyrine, epibisdehydroneotuberostemonine J, bisdehydroneostemoninine, stemoninoamide, bisdehydrostemoninine A, bisdehydrostemoninine B, bisdehydrostemoninine, tuberocrooline, croomine, and 5 reference compounds (fenofibrate, gemfibrozil, clofibrate, bezafibrate and ciprofibrate), respectively and the PPARα (PDB id: 5HYK)

No Compound name Binding affinity (kcal.mol-1) Hydrogen bonds Hydrophobic interactions
1 Radicamine A -8.2 Ser280, His440, Tyr464 Ile354, Ile447, Ala454
2 Perlolyrine -9.1 Phe273, Cys276, Ile354, His440, Val444, Ile447, Ala454
3 Epi-Bisdehydroneotuberostemonine J -8.5 Ser280, Tyr314 Ile354, Val444, Ile447, Lys448, Leu456
4 Bisdehydroneostemoninine -9.1 Ala455
5 Bisdehydrostemoninine A -8.5 Ser280, His440 Ile354, Val444, Ile447, Leu456
6 Bisdehydrostemoninine B -8.5 Cys276 Ile354, Val444, Ile447, Leu456
7 Bisdehydrostemoninine -8.1 His440, Leu456 Phe273, Ile354, Val444, Ile447, Leu456
8 Tuberocrooline -10.5 Ser280, Tyr314, Ala455
9 Croomine -8.9 Ser280, His440 Ile354, Val444, Ile447
10 Stemoninoamide -9.8 Ile354, His440, Val444, Ile447, Leu456
11 Fenofibrate -10.2 Ser280, His440 Phe273, Ile354, Val444, Ile447, Ala454, Leu456 Val270, Phe351,
12 Gemfibrozil -8.2 His440 Val444, Ile447, Lys448, Ala454, Ala455, Leu456
13 Clofibrate -7.3 Phe273, Cys276, Ile354, Met355
14 Bezafibrate -9.1 Ser280, Tyr314, His440, Val444 Ile354, Val444, Ala454 Val270, Phe273,
15 Ciprofibrate -8.6 Ser280, Tyr314, His440 Phe351, Val444, Ile447, Ala454