1. Big Data and Artificial Intelligence in Traditional Chinese Medicine (TCM)

2. Computational Biology and Bioinformatics

3. Protein Binding Pocket and Complex Prediction

2007-09--2014-01   Northeastern University   PhD
2003-09--2007-07   University of Science and Technology of China    BS

   

2019-05~2020-06    Columbia University    Visiting Scholar

2018-06~present     Dalian Institute of Chemical Physics, CAS     Associate Professor

2016-09~2018-06    Dalian Institute of Chemical Physics, CAS     Assistant Professor
2014-02~2016-06    Northeastern University    Postoctoral Fellow

（1） Single-Feature Identification of α2–8 Linked Sialoglycans Using Engineered Aerolysin Nanopores: A Paradigm for Glycan Linkage Analysis, Journal of the American Chemical Society, 2026, 第 12 作者

（2） Design and Synthesis of Novel ATP-Citrate Lyase Inhibitors and Their Effects on MAFLD/MASH, European Journal of Medicinal Chemistry, 2026, 第 7 作者

（3） Discovery of dopamine D1 receptor antagonists from Stephania epigaea using label-free cell phenotypic assays, FITOTERAPIA, 2025, 第 6 作者

（4） Calvatine A and B, pyrrolidone alkaloids as M3 receptor antagonists from Pyrrosia calvata, JOURNAL OF MOLECULAR STRUCTURE, 2025, 第 4 作者

（5） Lipidization of gelsemine facilitates its cellular uptake and anti-tumor activity, Bioorganic Chemistry, 2025, 第 5 作者

（6） Identification of a Novel Antagonist of BRS-3 from Natural Products and Its Protective Effects Against H 2 O 2 -Induced Cardiomyocyte Injury, INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2025, 第 4 作者

（7） Identification of a Novel Antagonist of BRS-3 from Natural Products and Its Protective Effects Against H 2 O 2 -Induced Cardiomyocyte Injury, INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2025, 第 4 作者

（8） A Natural LDHA Allosteric Inhibitor Geraniin Suppresses Triple-Negative Breast Cancer Cell Growth, Phytotherapy Research, 2025, 第 4 作者

（9） Isobavachalcone ameliorates TNBS-induced Crohn’s disease-like colitis via GPR84-PI3K-AKT axis, Journal of Ethnopharmacology, 2025, 第 6 作者

（10） Identification of a Novel NPC1L1 Inhibitor from Danshen and Its Role in Nonalcoholic Fatty Liver Disease, INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2025, 第 4 作者

（11） Bakuchiol mitigates colitis through GPR120 activation, Phytomedicine, 2025, 第 5 作者

（12） Therapeutic exploration of biased ligands at class A G protein-coupled receptors over the past 20 years, PHARMACOLOGY & THERAPEUTICS, 2025, 第 4 作者

（13） Dihydrokoumine, a dual-target analgesic with reduced side effects isolated from a traditional Chinese medicine, JOURNAL OF ADVANCED RESEARCH, 2025, 第 5 作者

（14） Specific binding of human P28 rotavirus VP8*protein to blood group ABH antigens on type 1 chains, PLOS PATHOGENS, 2025, 第 6 作者

（15） Design, semi-synthesis and bioevaluation of koumine-like derivatives as potential antitumor agents in vitro and in vivo, FUTURE MEDICINAL CHEMISTRY, 2024, 第 4 作者

（16） Elucidation of active components and target mechanism in Jinqiancao granules for the treatment of prostatitis and benign prostatic hyperplasia, JOURNAL OF ETHNOPHARMACOLOGY, 2024, 第 1 作者

（17） Integrating UPLC-MS/MS with in Silico and in Vitro Screening Accelerates the Discovery of Active Compounds in Stephania epigaea, JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2024, 第 5 作者

（18） Label-free cell phenotypic profiling of histamine H4R receptor and discovery of non-competitive H4R antagonist from natural products, BIOORGANIC CHEMISTRY, 2024, 第 3 作者

（19） GPCR-BSD: a database of binding sites of human G-protein coupled receptors under diverse states, BMC BIOINFORMATICS, 2024, 第 2 作者

（20） Profiling of Antidiabetic Bioactive Flavonoid Compounds from an Edible Plant Kudzu ( Pueraria lobata ), JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2024, 第 4 作者

（21） Precise Structural Analysis of Neutral Glycans Using Aerolysin Mutant T240R Nanopore, ACS NANO, 2024, 第 8 作者

（22） The dual-targeting mechanism of an anti-inflammatory diarylheptanoid from Curcuma zedoaria (Christm.) Roscoe with the capacity for β2-adrenoreceptor agonism and NLRP3 inhibition, Chemico-Biological Interactions, 2023, 

（23） Aminosalicylates target GPR35, partly contributing to the prevention of DSS-induced colitis, EUROPEAN JOURNAL OF PHARMACOLOGY, 2023, 第 11 作者

（24） Design and synthesis of 2-(2,2-diarylethyl)-cyclamine derivatives as M3 receptor antagonists and functional evaluation on COPD, BIOORGANIC CHEMISTRY, 2023, 第 5 作者

（25） Decoloration and alkaloid enrichment of Dactylicapnos scandens extracts based on the use of strong anion-exchange resins in tandem with strong cation-exchange silica-based materials, JOURNAL OF CHROMATOGRAPHY B, 2023, 第 5 作者

（26） A guide of column selection for two-dimensional liquid chromatography method development of natural alkaloids, TALANTA, 2023, 第 3 作者

（27） Identification of tagged glycans with a protein nanopore, NATURE COMMUNICATIONS, 2023, 第 8 作者

（28） Multi-effective components and their target mechanism of Ziziphi Spinosae Semen in the treatment of insomnia, FITOTERAPIA, 2023, 第 3 作者

（29） Chemical profiling of Ziziphi spinosae semen using on-line comprehensive two-dimensional liquid chromatography-mass spectrometry based on a novel phthalic anhydride bonded stationary phase, JOURNAL OF SEPARATION SCIENCE, 2023, 第 5 作者

（30） Development and Characterization of Fluorescent Probes for the G Protein-Coupled Receptor 35, ACS MEDICINAL CHEMISTRY LETTERS, 2023, 第 6 作者

（31） Isoquinoline alkaloid dimers with dopamine D1 receptor activities from Menispermum dauricum DC, PHYTOCHEMISTRY, 2022, 第 3 作者

（32） Discovery and characterization of novel ATP citrate lyase inhibitors from natural products by a luminescence-based assay, CHEMICO-BIOLOGICAL INTERACTIONS, 2022, 第 5 作者

（33） Menisperdaurines A-W, structurally diverse isoquinoline alkaloids from Menispermum dauricum and their dopamine D1 receptor activities, BIOORGANIC CHEMISTRY, 2022, 第 6 作者

（34） High-performance liquid chromatography quantitative analysis of ephedrine alkaloids in Ephedrae Herba on a perfluorooctyl stationary phase, JOURNAL OF SEPARATION SCIENCE, 2022, 第 5 作者

（35） Synthesis and Chromatographic Evaluation of Perfluorooctyl Stationary Phase for Separation of Basic Compounds, CHROMATOGRAPHIA, 2022, 第 6 作者

（36） Comprehensive characterization of ingredients in Crocus sativus L. from different origins based on the combination of targeted and nontargeted strategies, FOOD CHEMISTRY, 2022, 第 3 作者

（37） Structurally diverse isoquinoline and amide alkaloids with dopamine D2 receptor antagonism from Corydalis bungeana, FITOTERAPIA, 2022, 第 6 作者

（38） Corybungines A−K: Isoquinoline alkaloids from Corydalis bungeana with dopamine D2 receptor activity, PHYTOCHEMISTRY, 2022, 第 6 作者

（39） Ursodesoxycholic acid is an FFA4 agonist and reduces hepatic steatosis via FFA4 signaling, EUROPEAN JOURNAL OF PHARMACOLOGY, 2022, 第 5 作者

（40） Discovery of Flavonoids as Novel Inhibitors of ATP Citrate Lyase: Structure-Activity Relationship and Inhibition Profiles, INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2022, 第 5 作者

（41） Integrated strategy for identifying isoflavones in Belamcandae Rhizoma based on the combination of mass defect filtering and neutral-loss-triggered multistage fragmentation, JOURNAL OF CHROMATOGRAPHY A, 2022, 第 3 作者

（42） Integration of Two-Dimensional Liquid Chromatography-Mass Spectrometry and Molecular Docking to Characterize and Predict Polar Active Compounds in Curcuma kwangsiensis, MOLECULES, 2022, 第 5 作者

（43） Structurally diverse isoquinoline and amide alkaloids with dopamine D2 receptor antagonism from Corydalis bungeana, FITOTERAPIA, 2022, 第 6 作者

（44） Structure-Activity Relationship Studies of Coumarin-like Diacid Derivatives as Human G Protein-Coupled Receptor-35 (hGPR35) Agonists and a Consequent New Design Principle, JOURNAL OF MEDICINAL CHEMISTRY, 2021, 第 5 作者

（45） TiO2 Simultaneous Enrichment, On-Line Deglycosylation, and Sequential Analysis of Glyco- and Phosphopeptides, FRONTIERS IN CHEMISTRY, 2021, 第 4 作者

（46） Label-free cell phenotypic study of opioid receptors and discovery of novel mu opioid ligands from natural products, JOURNAL OF ETHNOPHARMACOLOGY, 2021, 第 4 作者

（47） Oxa-adamantyl cannabinoids, BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2021, 第 6 作者

（48） Discovery of eight alkaloids with D1 and D2 antagonist activity in leaves of Nelumbo nucifera Gaertn. Using FLIPR assays, JOURNAL OF ETHNOPHARMACOLOGY, 2021, 第 1 作者

（49） Offline preparative three-dimensional HPLC for systematic and efficient purification of alkaloids from Gelsemium elegans Benth, JOURNAL OF CHROMATOGRAPHY A, 2021, 第 3 作者

（50） A strategy for efficient enrichment of steroidal alkaloids from Fritillaria based on fluorinated reversed-phase stationary phase, JOURNAL OF SEPARATION SCIENCE, 2021, 第 3 作者

（51） An offline two-dimensional supercritical fluid chromatography × reversed phase liquid chromatography tandem quadrupole time-of-flight mass spectrometry system for comprehensive gangliosides profiling in swine brain extract, TALANTA, 2020, 第 8 作者

（52） Identification of novel phytocannabinoids from Ganoderma by label-free dynamic mass redistribution assay, JOURNAL OF ETHNOPHARMACOLOGY, 2020, 第 1 作者

（53） Phenotypic assessment and ligand screening of ETA/ETB receptors with label-free dynamic mass redistribution assay, NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY, 2020, 第 4 作者

（54） Integration of micro-fractionation, high-performance liquid chromatography-ultraviolet detector-charged aerosol detector-mass spectrometry analysis and cellular dynamic mass redistribution assay to accelerate alkaloid drug discovery, JOURNAL OF CHROMATOGRAPHY A, 2020, 第 3 作者

（55） Systematic characterization of AT1 receptor antagonists with label-free dynamic mass redistribution assays, JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS, 2020, 第 4 作者

（56） Combination of multi-model statistical analysis and quantitative fingerprinting in quality evaluation of Shuang-huang-lian oral liquid, ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 2020, 第 7 作者

（57） Synthesis and evaluation of 3-(4-(phenoxymethyl)phenyl)propanoic acid and N-phenylbenzenesulfonamide derivatives as FFA4 agonists, BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2020, 第 3 作者

（58） Characterization of tropane and cinnamamide alkaloids from Scopolia tangutica by high-performance liquid chromatography with quadrupole time-of-flight tandem mass spectrometry, JOURNAL OF SEPARATION SCIENCE, 2019, 第 5 作者

（59） Profiling of Human Milk Oligosaccharides for Lewis Epitopes and Secretor Status by Electrostatic Repulsion Hydrophilic Interaction Chromatography Coupled with Negative-Ion Electrospray Tandem Mass Spectrometry, ANALYTICAL CHEMISTRY, 2019, 第 7 作者

（60） Strong electrostatic repulsive interaction used for fast and effective alkaloid enrichment from plants, JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, 2019, 第 6 作者

（61） Label-free cell phenotypic study of FFA4 and FFA1 and discovery of novel agonists of FFA4 from natural products, RSC ADVANCES, 2019, 第 2 作者

（62） Production of 1,2-cyclohexanedicarboxylates from diacetone alcohol and fumarates, ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2019, 第 4 作者

（63） Offline preparative 2-D polar-copolymerized reversed-phase chromatography x zwitterionic hydrophilic interaction chromatography for effective purification of polar compounds from Caulis Polygoni Multiflori, JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, 2019, 第 4 作者

（64） Offline preparative 2-D polar-copolymerized reversed-phase chromatography × zwitterionic hydrophilic interaction chromatography for effective purification of polar compounds from Caulis Polygoni Multiflori, JOURNALOFCHROMATOGRAPHYB, 2019, 第 4 作者

（65） Discovery of novel antagonists on (2)-adrenoceptor from natural products using a label-free cell phenotypic assay, NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY, 2018, 第 12 作者

（66） Discovery of β2- adrenoceptor agonists in Curcuma zedoaria Rosc using label-free cell phenotypic assay combined with two-dimensional liquid chromatography, JOURNAL OF CHROMATOGRAPHY A, 2018, 第 7 作者

（67） Saikosaponin D from Radix Bupleuri suppresses triple-negative breast cancer cell growth by targeting β-catenin signaling, BIOMEDICINE & PHARMACOTHERAPY, 2018, 第 7 作者

（68） Discovery of novel antagonists on beta(2)-adrenoceptor from natural products using a label-free cell phenotypic assay, NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY, 2018, 第 12 作者

（69） Discovery of beta(2)-adrenoceptor agonists in curcuma zedoaria rosc using label-free cell phenotypic assay combined with two-dimensional liquid chromatography, JOURNAL OF CHROMATOGRAPHY A, 2018, 第 7 作者

（70） Saikosaponin d from radix bupleuri suppresses triple-negative breast cancer cell growth by targeting beta-catenin signaling, BIOMEDICINE & PHARMACOTHERAPY, 2018, 第 7 作者

（71） Oximes short-acting CB1 receptor agonists, BIOORGANIC & MEDICINAL CHEMISTRY, 2018, 第 7 作者

（72） (R)-N-(1-Methyl-2-hydroxyethyl)-13-(S)-methyl-arachidonamide (AMG315): A Novel Chiral Potent Endocannabinoid Ligand with Stability to Metabolizing Enzymes, JOURNAL OF MEDICINAL CHEMISTRY, 2018, 第 16 作者

（73） On-line comprehensive two-dimensional liquid chromatography tandem mass spectrometry for the analysis of Curcuma kwangsiensis, TALANTA, 2018, 第 4 作者

（74） Discovery of new muscarinic acetylcholine receptor antagonists from Scopolia tangutica., SCIENTIFIC REPORTS, 2017, 第 7 作者

（75） Human Cannabinoid Receptor 2 Ligand-Interaction Motif: Transmembrane Helix 2 Cysteine, C2.59(89), as Determinant of Classical Cannabinoid Agonist Activity and Binding Pose, ACS CHEMICAL NEUROSCIENCE, 2017, 第 1 作者

（76） Crystal Structure of the Human Cannabinoid Receptor CB1, CELL, 2016, 第 15 作者

​(1) Appication of Compounds as or to Prepare Cannabinoid Receptor Agonists and Antagonists, 2019, No. 201910280591.5

(1) Molecular simulation and AI-based identification of tagged glycans with a protein nanopore, The 11th International Conference on Molecular Simulations and Artificial Intelligence Application, Chengdu, Sichuan, China 2023-05-06

(2) AM994-Binding Architecture of Human Cannabinoid Receptor 2 Using Ligand-Assisted Protein Structure Followed by Molecular Dynamics, 21st Annual Symposium of the Internation Cannabinoid Research Society, St. Charles, IL, USA  2011-07-05