5 Papers
6 Citations
Yang Liu is an academic researcher from Shenyang Pharmaceutical University. The author has contributed to research in topics: Quantitative structure–activity relationship & Chemistry. The author has an hindex of 2, co-authored 5 publications.
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Papers
Natural therapeutic agents for neurodegenerative diseases from the shells of Xanthoceras sorbifolium.
TL;DR: Triterpene saponins from Xanthoceras sorbifolium could have therapeutic potentials for neurodegenerative diseases due to their potent anti-neuroinflammatory activities.
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Computational Investigation of Adenosine 5′- (α, β-methylene)- diphosphate (AMPCP) Derivatives as Ecto-5′-nucleotidase (CD73) Inhibitors by Using 3D-QSAR, Molecular Docking, and Molecular Dynamics Simulations
Jiatong Wen,Heng Zhang,Churen Meng,Di Zhou,Gang Chen,Jian Wang,Yang Liu,Lei Yuan,Li Ning +8 more
- 23 Sep 2021
TL;DR: Through molecular docking, three-dimensional quantitative structure-activity relationship (3D-QSAR) and molecular dynamics simulations, a series of CD73 inhibitors were calculated and studied to reveal their structure- activity relationships.
Computational investigation of 4,5-diphenyl-1H-pyrrole-3-carboxylic acid derivatives as B-cell lymphoma-extra large (Bcl-xL) inhibitors by using 3D-QSAR, molecular docking, and molecular dynamics simulations
TL;DR: Computational study was applied to a series of Bcl-xL inhibitors to reveal the relationship between structure and activities through applying molecular docking, three-dimensional qualitative structure-activity relationship (3D-QSAR), and molecular dynamic simulations, and results were consistent with those of the molecular docking and 3D- QSAR studies.
In vivo evaluation and atom-based 3D-QSAR studies on saponins from shells of Xanthoceras sorbifolium Bunge as anti-AD agents
TL;DR: An atom-based 3D-QSAR model was constructed and 19 was predicted and proved to elicit a nearly equivalent in vivo anti-AD effect as xanthoceraside and donepezil that were used as positive drugs in the Y maze and Morris water maze test.
Chemical constituents from shells of Xanthoceras sorbifolium.
TL;DR: Western blot, RT-qPCR, and docking experiments further validated that the regulation of iNOS and IL-1β expressions was involved in the anti-neuroinflammatory effects of these two compounds.