title: Fructus Psoraleae contains natural compounds with potent inhibitory effects towards human carboxylesterase 2.
abstract: Fructus Psoraleae (FP) is an edible Chinese herbal which is widely used in Asia for the treatment of various diseases including asthma, diarrhea, and osteoporosis. This study aimed to investigate the inhibitory effects of the crude ethanol extract from FP on human carboxylesterase 2 (hCE2), as well as to identity and characterize the naturally occurring inhibitors of hCE2 in FP. Our results demonstrated that the ethanol extract of FP displayed potent inhibitory effects towards hCE2, while five major bioactive constitutes in FP were efficiently identified by LC-DAD-ESI-MS/MS, with the aid of LC-based activity profiling. The identified bioactive compounds including neobavaisoflavone, isobavachalcone, bavachinin, corylifol A and bakuchiol were found to be naturally occurring potent inhibitors of hCE2, with low Ki values ranging from 0.62μM to 3.89μM. This is the first report of the chemical constitutes in FP as potent inhibitors of hCE2.
authors.affiliation: Laboratory of Pharmaceutical Resource Discovery, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China; College of Animal Science and Veterinary Medicine, Shanxi Agricultural University, Taigu 030801, China.
authors.forename: Yao-Guang
authors.initials: YG
authors.lastname: Li
authors.affiliation: Dalian Medical University, Dalian 116044, China.
authors.forename: Jie
authors.initials: J
authors.lastname: Hou
authors.affiliation: Laboratory of Pharmaceutical Resource Discovery, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
authors.forename: Shi-Yang
authors.initials: SY
authors.lastname: Li
authors.affiliation: Laboratory of Pharmaceutical Resource Discovery, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
authors.forename: Xia
authors.initials: X
authors.lastname: Lv
authors.affiliation: Laboratory of Pharmaceutical Resource Discovery, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China; Dalian Medical University, Dalian 116044, China.
authors.forename: Jing
authors.initials: J
authors.lastname: Ning
authors.affiliation: Laboratory of Pharmaceutical Resource Discovery, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
authors.forename: Ping
authors.initials: P
authors.lastname: Wang
authors.affiliation: Laboratory of Pharmaceutical Resource Discovery, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
authors.forename: Zhao-Ming
authors.initials: ZM
authors.lastname: Liu
authors.affiliation: Laboratory of Pharmaceutical Resource Discovery, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China. Electronic address: geguangbo@dicp.ac.cn.
authors.forename: Guang-Bo
authors.initials: GB
authors.lastname: Ge
authors.affiliation: College of Animal Science and Veterinary Medicine, Shanxi Agricultural University, Taigu 030801, China. Electronic address: Renjiay@126.com.
authors.forename: Jia-Yan
authors.initials: JY
authors.lastname: Ren
authors.affiliation: Laboratory of Pharmaceutical Resource Discovery, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China. Electronic address: ylingdicp@gamil.com.
authors.forename: Ling
authors.initials: L
authors.lastname: Yang
mesh_terms: D043182:Carboxylesterase / Q000037:antagonists & inhibitors*; D047188:Chalcones / Q000737:chemistry / Q000302:isolation & purification; D004365:Drugs, Chinese Herbal / Q000737:chemistry*; D004791:Enzyme Inhibitors / Q000737:chemistry* / Q000302:isolation & purification; D047309:Flavones / Q000737:chemistry / Q000302:isolation & purification; D005419:Flavonoids / Q000737:chemistry / Q000302:isolation & purification; D005638:Fruit / Q000737:chemistry; D006801:Humans; D007529:Isoflavones / Q000737:chemistry / Q000302:isolation & purification; D010636:Phenols / Q000737:chemistry / Q000302:isolation & purification; D029907:Psoralea / Q000737:chemistry*
chemical_list: D047188:Chalcones; D004365:Drugs, Chinese Herbal; D004791:Enzyme Inhibitors; D047309:Flavones; D005419:Flavonoids; D007529:Isoflavones; D010636:Phenols; C549829:corylifol A; C549830:neobavaisoflavone; C468754:isobavachalcone; C517204:CES2 protein, human; D043182:Carboxylesterase; C012765:bakuchiol; C468752:bavachinin
keywords: Fructus Psoraleae; Human carboxylesterase 2; Inhibitory effects; LC-DAD-ESI-MS/MS