Active Substances Variation In Traditional Using Links And Heat Degree Virtual Evaluation Of LRA

LRA,pungent,sweet, grand heat; toxic.Regard as the first drug to cure extreme Yang deficiency, is named the title of "one of the four-dimensional in T.C.M. herbs".Because of the strong medicinal properties of LRA can lead to a variety of severely adverse reactions besides the remarkable clinical efficacy,is often used in many ways to reduce the strongly medicinal properties of pungent,heat,toxic in clinical use, to ensure the safety of drug use to better exert its effects.The subject systematically research active substances variation of Sichuan-produced LRA in traditional using links;via artificial neural network to establish material basis-combined effect mathematical model to assess and forecasting the medicinal properties of LRA;for Fuzi curing extreme Yang deficiency relative to positive inotropic carry out virtual screening and verification.First, the processing affect active substances variation.Adopting UV, HPLC determined total alkaloids, ester alkaloids, diester alkaloid content of LRA and its processed products, combining with fingerprints research macro changes of LRA and its processed products composition.Second,decocting affect active substances variation.Determining total alkaloids, ester alkaloids, diester alkaloid content from 0-6 hours decoct time of LRA,BPLRA,WPLRA,combining with fingerprints research macro changes of LRA,BPLRA,WPLRA composition.Third, compatibility affect active substances variation.1 Compatible with cold properties herbs research,Study the active substances variation about LRA compatible with crude Rhubarb,wine Rhubarb;and compatible with Scutellaria, Coptis, Phellodendron.2 Compatible with neutral properties herbs research.Study the active substances variation about LRA compatible with crude Glycyrrhiza,honey Glycyrrhiza.3 Compatible with hot properties herbs research.Study the active substances variation about LRA compatible with Cinnamon Twig, Cinnamon leather trunk;and compatible with fresh Ginger, drying Ginger, sand-frying Ginger. Fourth, LRA medicinal properties virtual evaluation.Using artificial neural networks of various parameters to describe the material chemical composition and medicinal properties interaction,to realize the nonlinear mapping function,establishing of a interaction mathematical scoring model, firstly apply the model to assess and forecaste the medicinal properties of LRA in traditional using links.Fifth,virtual screening of medicinal properties material basis.Based on the LRA curing extreme Yang deficiency effect,first proposed LRA virtual screening methods about efficacy of T.C.M, carried out the chemical composition and cardiac cell receptor molecular docking research, found a number of potential cardiac active ingredient,verification the cardiac pharmacodynamics of LRA.On the basis of systematically research the active substance variation for processing,decoction time,medicinal properties compatibility, firstly innovative design using artificial neural network set up a mathematical model to descript the mutual relationship between active substance with LRA poisoning-effect combined effect,used to assess and predict LRA the heat degree of traditional medicinal properties theory.First discovered components with potential cardiac function in LRA by virtual screening,and conducted preliminary pharmacodynamic validation.