Research On The Interaction Between Three Isoflavones From Chickpea And Human Serum Albumin

There are kinds of isoflavnes in chickpea,which have many biological activities.They tend to bind with human serum albumin(HSA)in vivo.In our study,three isoflavones from chickpea,biochanin A,formononetin and daidzein were taken as experimental material.UV-vis,fluorescence and circular dichroism spectroscopy methods were applied to investigate their interaction with HSA.Results showed that with the increase of concentration of isoflavones,fluorescence intensity of HSA declined and the maximum absorption peak showed a blue shift,which signed fluorescence quenched and energy transferred.Therefore,the microenvironment of HSA could be changed by isoflavones.In addition,the influence of Fe2+ and Vitamin C(Vc)may interfere with the binding of chickpea isoflavones with HSA,especially Vc,which may be credited to its –OH in the structure.Molecular docking and dynamics simulation were taken to bulid a binding model of HSA-isoflavones.The possible binding position and the best docking conformation were chosen by Autodock;10 ns dynamics simulation showed that the chickpea isoflavones could be well combined in the hydrophobic cavity of HSA IIA subdomain;Van der Waals force and hydrophobic force mainly maintained their interaction;TRP214 contributioned the most in decomposition energy analyze,so the only tryptophan in HSA played an important role in the binding process.Molecular simulation verified the spectroscopy results.The interaction mechanism between HSA and isoflavone was interpreted at the molecular level,which hoped to provide more information to understand the transport and metabolic process of active substances in the body.Isoflavones inhibit proliferation of SKOV3 ovarian cancer cells in vitro was determined by MTT method.Three isoflavones presented dose-effect relationship on SKOV3 cell proliferation inhibition,BCA had the best antiproliferation ability(IC50 was 55.50 ?mol/L),which followed by daidzein and formononetin(IC50 was 97.72 ?mol/L and 241.80 ?mol/L).The structure-activity relationship indicated that the inhibitory of tumor cell proliferation was related with the number and position of hydroxyl.