Research Article

Utilizing Network Pharmacology and Molecular Docking Integrated Surface Plasmon Resonance Technology to Investigate the Potential Targets and Mechanisms of Tripterygium wilfordii against Pulmonary Artery Hypertension

Table 5

Results of molecular docking.

Chemical compositionTargetPDB IDMolecule affinityActive pocket site

KaempferolCASP3ICP3−8.46G122, M61, F128, C163, A162, S205, Q161, R64, S120, G122
PARP1IUKO−7.52L877, Y896, I895, R878, G894, E763, N767, R865, H909, R878, G894, Y896

TriptolideCASP3ICP3−7.67W206, Y204, C163, A162, R207, C163, G122
PARP1IUKO−8.35Y896, Y889, I895, Y907, P881, A880, R878, D770, H862, Y896