Zhu Y - Search Results

1

Discovery of small molecules binding to the normal conformation of prion by combining virtual screening and multiple biological activity evaluation methods.

Li L, Wei W, Jia WJ, Zhu Y, Zhang Y, Chen JH, Tian J, Liu H, He YX, Yao X. Li L, et al. Among authors: zhu y. J Comput Aided Mol Des. 2017 Dec;31(12):1053-1062. doi: 10.1007/s10822-017-0086-6. Epub 2017 Nov 20. J Comput Aided Mol Des. 2017. PMID: 29159521

2

Experimental and Theoretical Insights into the Inhibition Mechanism of Prion Fibrillation by Resveratrol and its Derivatives.

Li L, Zhu Y, Zhou S, An X, Zhang Y, Bai Q, He YX, Liu H, Yao X. Li L, et al. Among authors: zhu y. ACS Chem Neurosci. 2017 Dec 20;8(12):2698-2707. doi: 10.1021/acschemneuro.7b00240. Epub 2017 Sep 15. ACS Chem Neurosci. 2017. PMID: 28817252

3

Carbon Nanoparticles Inhibit the Aggregation of Prion Protein as Revealed by Experiments and Atomistic Simulations.

Zhou S, Zhu Y, Yao X, Liu H. Zhou S, et al. Among authors: zhu y. J Chem Inf Model. 2019 May 28;59(5):1909-1918. doi: 10.1021/acs.jcim.8b00725. Epub 2019 Jan 7. J Chem Inf Model. 2019. PMID: 30575391

4

How graphene affects the misfolding of human prion protein: A combined experimental and molecular dynamics simulation study.

Zhu Y, Guo J, Zhang A, Li L, Liu X, Liu H, Yao X. Zhu Y, et al. Environ Res. 2019 Apr;171:1-10. doi: 10.1016/j.envres.2018.12.057. Epub 2018 Dec 28. Environ Res. 2019. PMID: 30641367

5

Discovery of a new inhibitor targeting PD-L1 for cancer immunotherapy.

Wang F, Ye W, Wang S, He Y, Zhong H, Wang Y, Zhu Y, Han J, Bing Z, Ji S, Liu H, Yao X. Wang F, et al. Among authors: zhu y. Neoplasia. 2021 Mar;23(3):281-293. doi: 10.1016/j.neo.2021.01.001. Epub 2021 Jan 30. Neoplasia. 2021. PMID: 33529880 Free PMC article.

6

Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.

Han JT, Zhu Y, Pan DB, Xue HX, Wang S, Peng Y, Liu H, He YX, Yao X. Han JT, et al. Among authors: zhu y. Comput Struct Biotechnol J. 2021 Jul 21;19:4079-4091. doi: 10.1016/j.csbj.2021.07.015. eCollection 2021. Comput Struct Biotechnol J. 2021. PMID: 34401048 Free PMC article.

7

Binding Thermodynamics and Dissociation Kinetics Analysis Uncover the Key Structural Motifs of Phenoxyphenol Derivatives as the Direct InhA Inhibitors and the Hotspot Residues of InhA.

Zhang Q, Han J, Zhu Y, Tan S, Liu H. Zhang Q, et al. Among authors: zhu y. Int J Mol Sci. 2022 Sep 3;23(17):10102. doi: 10.3390/ijms231710102. Int J Mol Sci. 2022. PMID: 36077494 Free PMC article.

8

Identification of CBPA as a New Inhibitor of PD-1/PD-L1 Interaction.

Wang F, Ye W, He Y, Zhong H, Zhu Y, Han J, Gong X, Tian Y, Wang Y, Wang S, Ji S, Liu H, Yao X. Wang F, et al. Among authors: zhu y. Int J Mol Sci. 2023 Feb 16;24(4):3971. doi: 10.3390/ijms24043971. Int J Mol Sci. 2023. PMID: 36835382 Free PMC article.

9

Experiment and molecular dynamics simulations reveal proanthocyanidin B2 and B3 can inhibit prion aggregation by different mechanisms.

Li Q, Zhu Y, Meng X, Tong HHY, Liu H. Li Q, et al. Among authors: zhu y. J Biomol Struct Dyn. 2024 Mar;42(5):2424-2436. doi: 10.1080/07391102.2023.2209663. Epub 2023 May 5. J Biomol Struct Dyn. 2024. PMID: 37144732

10

Discovery of novel and potent InhA direct inhibitors by ensemble docking-based virtual screening and biological assays.

Zhang Q, Han J, Zhu Y, Yu F, Hu X, Tong HHY, Liu H. Zhang Q, et al. Among authors: zhu y. J Comput Aided Mol Des. 2023 Dec;37(12):695-706. doi: 10.1007/s10822-023-00530-4. Epub 2023 Aug 29. J Comput Aided Mol Des. 2023. PMID: 37642861

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