Pitchai_2018_Neurosci.Lett_687_268

An acetylcholinesterase inhibitory compound was isolated from Tephrosia purpurea (L.) Pers. by zebrafish brain based bioassay guided isolation and predicted as trans-tephrostachin.Enzyme kinetics studies (Line weaver-Burk plots and Michaelis Menten equation) favored the reversible / mixed type, with the inhibition constant (Ki) of 53.0 +/- 7.4 muM in zebrafish brain (IC50 value of 39.0 +/- 1.4 muM). However, the inhibition constant (Ki) was found to be 36.0 +/- 0.4 muM with IC50 value of 20.0 +/- 1.0 muM, whereas donepezil showed 3.2 +/- 0.3 muM with the IC50 value of 0.12 +/- 0.04 muM for human acetylcholinesterase. Further, the molecular docking, dynamics and simulation for trans-tephrostachin obtained better binding affinity and efficacy than commercial drugs donepezil and galanthamine. Hence, the isolated compound trans - tephrostachin from T. purpurea shall be further considered for the development of potential drug for the counteraction of Alzheimer's disease progression.