title: [Study on material base of Ligusticum wallichii for treating brain ischemia and its molecular mechanism based on molecular docking].
abstract: To explore the effective ingredients and mechanism of Ligusticum wallichii in treating brain ischemia. Four brain ischemia-related target proteins were selected in the joint screening for the 45 component in L. wallichii reported in literatures based on molecular docking by reference to the corresponding drugs in the market. According to the docking results, multiple components in L. wallichii, such as phthalides, were superior to the corresponding drugs in the market, suggesting that they may be the major effective components in L. wallichii for treating brain ischemia. The method can be used to study the material base and molecular mechanism of traditional Chinese medicines.
authors.forename: Xiang-gang
authors.initials: XG
authors.lastname: Song
authors.forename: Wei
authors.initials: W
authors.lastname: Zhou
authors.forename: Chao
authors.initials: C
authors.lastname: Chen
authors.forename: Shu-mei
authors.initials: SM
authors.lastname: Wang
authors.forename: Sheng-wang
authors.initials: SW
authors.lastname: Liang
mesh_terms: D002545:Brain Ischemia / Q000188:drug therapy*; D030004:Ligusticum / Q000737:chemistry*; D008516:Medicine, Chinese Traditional; D062105:Molecular Docking Simulation; D052247:Nitric Oxide Synthase Type II / Q000037:antagonists & inhibitors; D009195:Peroxidase / Q000037:antagonists & inhibitors; D008517:Phytotherapy; D014409:Tumor Necrosis Factor-alpha / Q000037:antagonists & inhibitors
chemical_list: D014409:Tumor Necrosis Factor-alpha; D009195:Peroxidase; C496319:NOS2 protein, human; D052247:Nitric Oxide Synthase Type II