G
Guixia Liu
Researcher at East China University of Science and Technology
Publications - 189
Citations - 7103
Guixia Liu is an academic researcher from East China University of Science and Technology. The author has contributed to research in topics: Medicine & Computer science. The author has an hindex of 34, co-authored 156 publications receiving 4954 citations. Previous affiliations of Guixia Liu include Chinese Academy of Sciences & East China Normal University.
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In Silico Prediction of CYP2C8 Inhibition with Machine-Learning Methods.
TL;DR: In this paper, in silico classification models for predicting CYP2C8 inhibition were built by five machine learning methods combined with nine molecular fingerprints, and the best model had AUC values of 0.85 and 0.90 for the test and external validation sets.
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Chiral Iridium Complexes of Anionic NCP Pincer Ligand for Asymmetric Transfer Hydrogenation of 1,1-Diarylethenes with Ethanol.
TL;DR: Chiral iridium complexes ligated by anionic oxazoline-bearing NCP-type pincer ligands were developed and applied to the asymmetric transfer hydrogenation (ATH) of diarylethenes using environmentally benign ethanol as the hydrogen donor as mentioned in this paper.
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In silico investigation of interactions between human cannabinoid receptor-1 and its antagonists
TL;DR: The built receptor structure and antagonists’ pharmacophore should be useful for the understanding of inhibitory mechanism and development of novel CB1 antagonists.
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Insights into the mechanism of Arnebia euchroma on leukemia via network pharmacology approach
TL;DR: This study deciphered that the efficacy of A. euchroma in the treatment of leukemia might be attributed to 10 targets and 14 components, which were associated with inhibiting leukemia cell survival and inducing apoptosis, relieving inflammatory environment and inhibiting angiogenesis.
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Computational insights into the different catalytic activities of CYP3A4 and CYP3A5 toward schisantherin E.
TL;DR: A combination of molecular docking, molecular dynamic simulations, and binding free energy calculation was performed on the CYP3A4/CYP3A5‐SE systems to investigate the issue of different catalytic activities toward some substrates and demonstrate that Ser119 and Glu374 formed direct hydrogen bonding with SE, respectively.