Jin J - Search Results

1

Theoretical Studies on the Selectivity Mechanisms of Glycogen Synthase Kinase 3β (GSK3β) with Pyrazine ATP-competitive Inhibitors by 3DQSAR, Molecular Docking, Molecular Dynamics Simulation and Free Energy Calculations.

Zhu J, Wu Y, Xu L, Jin J. Zhu J, et al. Among authors: jin j. Curr Comput Aided Drug Des. 2020;16(1):17-30. doi: 10.2174/1573409915666190708102459. Curr Comput Aided Drug Des. 2020. PMID: 31284868 Free PMC article.

2

Theoretical studies on the selective mechanisms of GSK3β and CDK2 by molecular dynamics simulations and free energy calculations.

Zhao S, Zhu J, Xu L, Jin J. Zhao S, et al. Among authors: jin j. Chem Biol Drug Des. 2017 Jun;89(6):846-855. doi: 10.1111/cbdd.12907. Epub 2016 Dec 7. Chem Biol Drug Des. 2017. PMID: 27863047

3

Insight into the selective mechanism of phosphoinositide 3-kinase γ with benzothiazole and thiazolopiperidine γ-specific inhibitors by in silico approaches.

Zhu J, Li K, Xu L, Jin J. Zhu J, et al. Among authors: jin j. Chem Biol Drug Des. 2019 May;93(5):818-831. doi: 10.1111/cbdd.13469. Epub 2019 Jan 11. Chem Biol Drug Des. 2019. PMID: 30582283

4

Rational Design of Novel Phosphoinositide 3-Kinase Gamma (PI3Kγ) Selective Inhibitors: A Computational Investigation Integrating 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation.

Li K, Zhu J, Xu L, Jin J. Li K, et al. Among authors: jin j. Chem Biodivers. 2019 Jul;16(7):e1900105. doi: 10.1002/cbdv.201900105. Epub 2019 Jun 21. Chem Biodivers. 2019. PMID: 31111650

5

Theoretical studies on the selectivity mechanisms of PI3Kδ inhibition with marketed idelalisib and its derivatives by 3D-QSAR, molecular docking, and molecular dynamics simulation.

Zhu J, Ke K, Xu L, Jin J. Zhu J, et al. Among authors: jin j. J Mol Model. 2019 Jul 23;25(8):242. doi: 10.1007/s00894-019-4129-x. J Mol Model. 2019. PMID: 31338599

6

Theoretical Exploring Selective-Binding Mechanisms of JAK3 by 3D-QSAR, Molecular Dynamics Simulation and Free Energy Calculation.

Zhu J, Yu Q, Cai Y, Chen Y, Liu H, Liang W, Jin J. Zhu J, et al. Among authors: jin j. Front Mol Biosci. 2020 May 27;7:83. doi: 10.3389/fmolb.2020.00083. eCollection 2020. Front Mol Biosci. 2020. PMID: 32528970 Free PMC article.

7

Integrating Machine Learning-Based Virtual Screening With Multiple Protein Structures and Bio-Assay Evaluation for Discovery of Novel GSK3β Inhibitors.

Zhu J, Wu Y, Wang M, Li K, Xu L, Chen Y, Cai Y, Jin J. Zhu J, et al. Among authors: jin j. Front Pharmacol. 2020 Sep 11;11:566058. doi: 10.3389/fphar.2020.566058. eCollection 2020. Front Pharmacol. 2020. PMID: 33041806 Free PMC article.

8

Targeting phosphatidylinositol 3-kinase gamma (PI3Kγ): Discovery and development of its selective inhibitors.

Zhu J, Li K, Yu L, Chen Y, Cai Y, Jin J, Hou T. Zhu J, et al. Among authors: jin j. Med Res Rev. 2021 May;41(3):1599-1621. doi: 10.1002/med.21770. Epub 2020 Dec 10. Med Res Rev. 2021. PMID: 33300614 Review.

9

A comprehensive screening method for investigating the potential binding targets of doxorubicin based on protein microarray.

Wang X, Chen Y, Zhu J, Yang Z, Gong X, Hui R, Huang G, Jin J. Wang X, et al. Among authors: jin j. Eur J Pharmacol. 2021 Apr 5;896:173896. doi: 10.1016/j.ejphar.2021.173896. Epub 2021 Jan 25. Eur J Pharmacol. 2021. PMID: 33508279 Free article.

10

Integrated molecular modeling techniques to reveal selective mechanisms of inhibitors to PI3Kδ with marketed Idelalisib.

Zhu J, Jia L, Jiang Y, Yu Q, Xu L, Cai Y, Chen Y, Li H, Gang H, Liang W, Jin J. Zhu J, et al. Among authors: jin j. Chem Biol Drug Des. 2021 Jun;97(6):1158-1169. doi: 10.1111/cbdd.13838. Epub 2021 Mar 13. Chem Biol Drug Des. 2021. PMID: 33657663

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