title: High-throughput chinmedomics-based prediction of effective components and targets from herbal medicine AS1350.
abstract: This work was designed to explore the effective components and targets of herbal medicine AS1350 and its effect on "Kidney-Yang Deficiency Syndrome" (KYDS) based on a chinmedomics strategy which is capable of directly discovering and predicting the effective components, and potential targets, of herbal medicine. Serum samples were analysed by UPLC-MS combined with pattern recognition analysis to identify the biomarkers related to the therapeutic effects. Interestingly, the effectiveness of AS1350 against KYDS was proved by the chinmedomics method and regulated the biomarkers and targeting of metabolic disorders. Some 48 marker metabolites associated with alpha-linolenic acid metabolism, fatty acid metabolism, sphingolipids metabolism, phospholipid metabolism, steroid hormone biosynthesis, and amino acid metabolism were identified. The correlation coefficient between the constituents in vivo and the changes of marker metabolites were calculated by PCMS software and the potential effective constituents of AS1350 were also confirmed. By using chinmedomics technology, the components in AS1350 protecting against KYDS by re-balancing metabolic disorders of fatty acid metabolism, lipid metabolism, steroid hormone biosynthesis, etc. were deduced. These data indicated that the phenotypic characterisations of AS1350 altering the metabolic signatures of KYDS were multi-component, multi-pathway, multi-target, and overall regulation in nature.
authors.affiliation: Sino-America Chinmedomics Technology Cooperation Center, Chinmedomics Research Center of TCM State Administration, National TCM Key Laboratory of Serum Pharmacochemistry, Laboratory of Metabolomics, Heilongjiang University of Chinese Medicine, Heping Road 24, Harbin 150040, China.
authors.forename: Qi
authors.initials: Q
authors.lastname: Liu
authors.affiliation: Sino-America Chinmedomics Technology Cooperation Center, Chinmedomics Research Center of TCM State Administration, National TCM Key Laboratory of Serum Pharmacochemistry, Laboratory of Metabolomics, Heilongjiang University of Chinese Medicine, Heping Road 24, Harbin 150040, China.
authors.forename: Aihua
authors.initials: A
authors.lastname: Zhang
authors.affiliation: Sino-America Chinmedomics Technology Cooperation Center, Chinmedomics Research Center of TCM State Administration, National TCM Key Laboratory of Serum Pharmacochemistry, Laboratory of Metabolomics, Heilongjiang University of Chinese Medicine, Heping Road 24, Harbin 150040, China.
authors.forename: Liang
authors.initials: L
authors.lastname: Wang
authors.affiliation: Sino-America Chinmedomics Technology Cooperation Center, Chinmedomics Research Center of TCM State Administration, National TCM Key Laboratory of Serum Pharmacochemistry, Laboratory of Metabolomics, Heilongjiang University of Chinese Medicine, Heping Road 24, Harbin 150040, China.
authors.forename: Guangli
authors.initials: G
authors.lastname: Yan
authors.affiliation: Infinitus (China) Company Ltd, Guangdong Province, China.
authors.forename: Hongwei
authors.initials: H
authors.lastname: Zhao
authors.affiliation: Sino-America Chinmedomics Technology Cooperation Center, Chinmedomics Research Center of TCM State Administration, National TCM Key Laboratory of Serum Pharmacochemistry, Laboratory of Metabolomics, Heilongjiang University of Chinese Medicine, Heping Road 24, Harbin 150040, China.|Department of Pharmaceutical Analysis, Heilongjiang University of Chinese Medicine, Heping Road 24, Harbin 150040, China.
authors.forename: Hui
authors.initials: H
authors.lastname: Sun
authors.affiliation: Infinitus (China) Company Ltd, Guangdong Province, China.
authors.forename: Shiyu
authors.initials: S
authors.lastname: Zou
authors.affiliation: Sino-America Chinmedomics Technology Cooperation Center, Chinmedomics Research Center of TCM State Administration, National TCM Key Laboratory of Serum Pharmacochemistry, Laboratory of Metabolomics, Heilongjiang University of Chinese Medicine, Heping Road 24, Harbin 150040, China.
authors.forename: Jinwei
authors.initials: J
authors.lastname: Han
authors.affiliation: Infinitus (China) Company Ltd, Guangdong Province, China.
authors.forename: Chung Wah
authors.initials: CW
authors.lastname: Ma
authors.affiliation: Sino-America Chinmedomics Technology Cooperation Center, Chinmedomics Research Center of TCM State Administration, National TCM Key Laboratory of Serum Pharmacochemistry, Laboratory of Metabolomics, Heilongjiang University of Chinese Medicine, Heping Road 24, Harbin 150040, China.
authors.forename: Ling
authors.initials: L
authors.lastname: Kong
authors.affiliation: Sino-America Chinmedomics Technology Cooperation Center, Chinmedomics Research Center of TCM State Administration, National TCM Key Laboratory of Serum Pharmacochemistry, Laboratory of Metabolomics, Heilongjiang University of Chinese Medicine, Heping Road 24, Harbin 150040, China.
authors.forename: Xiaohang
authors.initials: X
authors.lastname: Zhou
authors.affiliation: Sino-America Chinmedomics Technology Cooperation Center, Chinmedomics Research Center of TCM State Administration, National TCM Key Laboratory of Serum Pharmacochemistry, Laboratory of Metabolomics, Heilongjiang University of Chinese Medicine, Heping Road 24, Harbin 150040, China.
authors.forename: Yang
authors.initials: Y
authors.lastname: Nan
authors.affiliation: Sino-America Chinmedomics Technology Cooperation Center, Chinmedomics Research Center of TCM State Administration, National TCM Key Laboratory of Serum Pharmacochemistry, Laboratory of Metabolomics, Heilongjiang University of Chinese Medicine, Heping Road 24, Harbin 150040, China.|State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, Avenida Wai Long, Taipa Macau.
authors.forename: Xijun
authors.initials: X
authors.lastname: Wang
mesh_terms: D015415:Biomarkers / Q000097:blood; D002851:Chromatography, High Pressure Liquid; D004365:Drugs, Chinese Herbal / Q000008:administration & dosage* / Q000737:chemistry; D012739:Gonadal Steroid Hormones / Q000097:blood / Q000235:genetics; D006801:Humans; D007674:Kidney Diseases; D013058:Mass Spectrometry; D008659:Metabolic Diseases / Q000097:blood / Q000188:drug therapy*; D055442:Metabolome / Q000187:drug effects / Q000235:genetics*; D010743:Phospholipids / Q000097:blood / Q000235:genetics; D013107:Sphingolipids / Q000097:blood / Q000235:genetics; D016711:Yang Deficiency / Q000097:blood / Q000188:drug therapy* / Q000235:genetics; D017962:alpha-Linolenic Acid / Q000097:blood / Q000235:genetics*
chemical_list: D015415:Biomarkers; D004365:Drugs, Chinese Herbal; D012739:Gonadal Steroid Hormones; D010743:Phospholipids; D013107:Sphingolipids; D017962:alpha-Linolenic Acid