Shi D - Search Results

1

Targeting Thioredoxin Reductase by Ibrutinib Promotes Apoptosis of SMMC-7721 Cells.

Han X, Zhang J, Shi D, Wu Y, Liu R, Liu T, Xu J, Yao X, Fang J. Han X, et al. Among authors: shi d. J Pharmacol Exp Ther. 2019 May;369(2):212-222. doi: 10.1124/jpet.118.254862. Epub 2019 Feb 13. J Pharmacol Exp Ther. 2019. PMID: 30760494

2

Exploration of the antagonist CP-376395 escape pathway for the corticotropin-releasing factor receptor 1 by random acceleration molecular dynamics simulations.

Bai Q, Shi D, Zhang Y, Liu H, Yao X. Bai Q, et al. Among authors: shi d. Mol Biosyst. 2014 Jul;10(7):1958-67. doi: 10.1039/c4mb00037d. Mol Biosyst. 2014. PMID: 24820411

3

Ligand induced change of β2 adrenergic receptor from active to inactive conformation and its implication for the closed/open state of the water channel: insight from molecular dynamics simulation, free energy calculation and Markov state model analysis.

Bai Q, Pérez-Sánchez H, Zhang Y, Shao Y, Shi D, Liu H, Yao X. Bai Q, et al. Among authors: shi d. Phys Chem Chem Phys. 2014 Aug 14;16(30):15874-85. doi: 10.1039/c4cp01185f. Phys Chem Chem Phys. 2014. PMID: 24962153

4

Desmodeleganine, a new alkaloid from the leaves of Desmodium elegans as a potential monoamine oxidase inhibitor.

Zhi KK, Yang ZD, Shi DF, Yao XJ, Wang MG. Zhi KK, et al. Fitoterapia. 2014 Oct;98:160-5. doi: 10.1016/j.fitote.2014.07.022. Epub 2014 Aug 4. Fitoterapia. 2014. PMID: 25102471

5

Influence of Chirality of Crizotinib on Its MTH1 Protein Inhibitory Activity: Insight from Molecular Dynamics Simulations and Binding Free Energy Calculations.

Niu Y, Pan D, Shi D, Bai Q, Liu H, Yao X. Niu Y, et al. Among authors: shi d. PLoS One. 2015 Dec 17;10(12):e0145219. doi: 10.1371/journal.pone.0145219. eCollection 2015. PLoS One. 2015. PMID: 26677850 Free PMC article.

6

Protective V127 prion variant prevents prion disease by interrupting the formation of dimer and fibril from molecular dynamics simulations.

Zhou S, Shi D, Liu X, Liu H, Yao X. Zhou S, et al. Among authors: shi d. Sci Rep. 2016 Feb 24;6:21804. doi: 10.1038/srep21804. Sci Rep. 2016. PMID: 26906032 Free PMC article.

7

Inhibition of Monoamine Oxidase by Stilbenes from Rheum palmatum.

Wei B, Yang ZD, Shi DF, Yao XJ, Wang MG. Wei B, et al. Iran J Pharm Res. 2016 Fall;15(4):885-892. Iran J Pharm Res. 2016. PMID: 28243286 Free PMC article.

8

Revealing inhibition difference between PFI-2 enantiomers against SETD7 by molecular dynamics simulations, binding free energy calculations and unbinding pathway analysis.

Niu Y, Shi D, Li L, Guo J, Liu H, Yao X. Niu Y, et al. Among authors: shi d. Sci Rep. 2017 Apr 18;7:46547. doi: 10.1038/srep46547. Sci Rep. 2017. PMID: 28417976 Free PMC article.

9

Influence of EGCG on α-synuclein (αS) aggregation and identification of their possible binding mode: A computational study using molecular dynamics simulation.

Liu X, Zhou S, Shi D, Bai Q, Liu H, Yao X. Liu X, et al. Among authors: shi d. Chem Biol Drug Des. 2018 Jan;91(1):162-171. doi: 10.1111/cbdd.13067. Epub 2017 Aug 14. Chem Biol Drug Des. 2018. PMID: 28667699

10

Synthesis of naphthazarin derivatives and identification of novel thioredoxin reductase inhibitor as potential anticancer agent.

Zhang J, Liu Y, Shi D, Hu G, Zhang B, Li X, Liu R, Han X, Yao X, Fang J. Zhang J, et al. Among authors: shi d. Eur J Med Chem. 2017 Nov 10;140:435-447. doi: 10.1016/j.ejmech.2017.09.027. Epub 2017 Sep 19. Eur J Med Chem. 2017. PMID: 28987605

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