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An integrated strategy by using target tissue metabolomics biomarkers as pharmacodynamic surrogate indices to screen antipyretic components of Qingkaikling injection
TLDR
An integrated strategy for screening of antipyretic components in Qingkaikling injection provided a powerful means for identifying active components and mechanisms contributing to pharmacological effects of TCM.
Chinese Proprietary Herbal Medicine Listed in ‘China National Essential Drug List’ for Common Cold: A Systematic Literature Review
TLDR
The use of CPHMs for common cold is not supported by robust evidence and further rigorous well designed placebo-controlled, randomized trials are needed to substantiate the clinical claims made for C PHMs.
Discovery of Anti-Hypertensive Oligopeptides from Adlay Based on In Silico Proteolysis and Virtual Screening
TLDR
This study provides a research strategy to explore the pharmacological mechanism of Traditional Chinese Medicine (TCM) proteins based on in silico proteolysis and virtual screening, which could be beneficial to reveal the pharmacology action of TCM proteins and provide new lead compounds for peptides-based drug design.
A Component Formula of Chinese Medicine for Hypercholesterolemia Based on Virtual Screening and Biology Network
TLDR
The research provides a fast and efficient method to build TCM component formula and it may inspire the study of the explanation of TCM formula mechanism.
Virtual Screening for Potential Allosteric Inhibitors of Cyclin-Dependent Kinase 2 from Traditional Chinese Medicine
TLDR
This study provides virtual screening strategy of allosteric compounds and a reliable method to discover potential pure CDK2Allosteric inhibitors from TCM.
Discovery of Potential Inhibitors of Squalene Synthase from Traditional Chinese Medicine Based on Virtual Screening and In Vitro Evaluation of Lipid-Lowering Effect
TLDR
Cynarin is a potential SQS inhibitor from TCM, which could be further clinically explored for the treatment of hyperlipidemia, according to molecular modeling methods and biological assays.
Discovery of selective farnesoid X receptor agonists for the treatment of hyperlipidemia from traditional Chinese medicine based on virtual screening and in vitro validation
TLDR
This research provided a new screening procedure for finding selective candidate compounds and appropriate docking models of a target by considering the structure diversity of PDB structures, which was applied to discovery novel selective FXR agonists to treat hyperlipidemia.
Discovery of Potential Inhibitors of Aldosterone Synthase from Chinese Herbs Using Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Simulation Studies
TLDR
Two most promising compounds, ethyl caffeate and labiatenic acid, with high Fitvalue and docking score were reserved for molecular dynamics (MD) study, which suggested that they might perform the inhibitory effect on CYP11B2.
Discovery of Potential Orthosteric and Allosteric Antagonists of P2Y1R from Chinese Herbs by Molecular Simulation Methods
TLDR
This work provides a reliable guide for discovering natural P2Y1R antagonists acting on two distinct sites from TCM, which could potentially provide an efficacious and safe antithrombotic profile.
Prediction of placenta barrier permeability and reproductive toxicity of compounds in tocolytic Chinese herbs using support vector machine
TLDR
A drug molecule-based SVR model was built for evaluating the PBP of tocolytic Chinese herbs compounds which derived from the Traditional Chinese Medicine Database and was constructed to predict the reproductive toxicity of the active compounds with relatively high PBP.
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