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Page 1
Identification of inhibitors from a functional food-based plant Perillae Folium against hyperuricemia via metabolomics profiling, network pharmacology and all-atom molecular dynamics simulations.
Wu C, Wong AR, Chen Q, Yang S, Chen M, Sun X, Zhou L, Liu Y, Yang AWH, Bi J, Hung A, Li H, Zhao X. Wu C, et al. Among authors: yang awh. Front Endocrinol (Lausanne). 2024 Feb 16;15:1320092. doi: 10.3389/fendo.2024.1320092. eCollection 2024. Front Endocrinol (Lausanne). 2024. PMID: 38435751 Free PMC article.
Poria cocos compounds targeting neuropeptide Y1 receptor (Y1R) for weight management: A computational ligand- and structure-based study with molecular dynamics simulations identified beta-amyrin acetate as a putative Y1R inhibitor.
Wong AR, Hung A, Yang AWH, Gill H, Lenon GB. Wong AR, et al. Among authors: yang awh. PLoS One. 2023 Jun 30;18(6):e0277873. doi: 10.1371/journal.pone.0277873. eCollection 2023. PLoS One. 2023. PMID: 37390097 Free PMC article.
Multi-ligand molecular docking, simulation, free energy calculations and wavelet analysis of the synergistic effects between natural compounds baicalein and cubebin for the inhibition of the main protease of SARS-CoV-2.
Li H, Komori A, Li M, Chen X, Yang AWH, Sun X, Liu Y, Hung A, Zhao X, Zhou L. Li H, et al. Among authors: yang awh. J Mol Liq. 2023 Mar 15;374:121253. doi: 10.1016/j.molliq.2023.121253. Epub 2023 Jan 16. J Mol Liq. 2023. PMID: 36694691 Free PMC article.
37 results