| Hepatic fibrosis is a common pathological process in all chronic liver diseases and it has been reported that hepatic fibrosis is reversible.Therefore,early intervention is particularly important.The Dai formula called Baogan Capusle has great effect on protecting the liver and can be used for the treatment of liver fibrosis.It has been widely used in the Dai area,but the underlying mechanism remains unclear.Arundina graminifolia(D.Don)Hochr,which is also called as Bai Yang Jie,is one of the major drugs of the Capsule and belongs to the Orchidaceae’s Arundina genus.Besides,A.graminifolia is recorded with the efficacy of heat clearing and detoxifying,dispersing blood and relieving pain,reducing inflammation and promoting urination and so on.So we studied on the n-Bu OH part of A.graminifolia to classify the material basis of the plant and to screen bioactive components.(1)Through application of various chromatographic separation techniques such as column and liquid chromatography,8 new compounds were isolated from the n-Bu OH part of A. graminifolia.With the one and two-dimensional NMR and HR-MS methods,the structures of 8 compounds were all elucidated as glucosyloxybenzyl 2-benzylmalate derivatives,which are never been reported before.(2)The mass spectrometry fragmentation pattern of the isolated compounds was systematically studied by HPLC-MS/MS~n technology.Furthermore,according to this pattern,compounds with the similar structures can be analyzed quickly.Here the possible structures of the 27components were identified.(3)The virtual screening between reported compounds of A.graminifolia and proteins related to hepatic fibrosis was operated on the DS virtual screening software.And the results showed that glucosyloxybenzyl 2-benzylmalate derivatives have a better binding trend with TGF-β1、TLR4、My D88.(4)A cell model of using LPS to stimulate HSC-T6 to form fibrosis was established,and the activity of defeating hepatic fibrosis of compound 1~8 was determined.Comp.1,4,5,showed moderate effects.Meanwhile,the results of virtual screening were verified at the molecular level.Comp.1 could effectively inhibit the expression level of TGF-β1 and My D88,which was basically consistent with the screening results. |