Computational insights into the binding of IN17 inhibitors to MELK-Reference-Cited by-同舟云学术

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Computational insights into the binding of IN17 inhibitors to MELK

Published:2019-05-08 Issue:6 Volume:25 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Harger Matthew,Lee Ju-Hyeon,Walker Brandon,Taliaferro Juliana M.,Edupuganti Ramakrishna,Dalby Kevin N.,Ren Pengyu

Funder

Foundation for the National Institutes of Health

Cancer Prevention and Research Institute of Texas

Welch Foundation

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

http://link.springer.com/content/pdf/10.1007/s00894-019-4036-1.pdf

Reference57 articles.

1. Joshi K et al (2013) MELK-dependent FOXM1 phosphorylation is essential for proliferation of glioma stem cells. Stem Cells 31(6):1051–1063

2. Gu C et al (2013) Tumor-specific activation of the C-JUN/MELK pathway regulates glioma stem cell growth in a p53-dependent manner. Stem Cells 31(5):870–881

3. Wang Y et al (2016) Mitotic MELK-eIF4B signaling controls protein synthesis and tumor cell survival. Proc Natl Acad Sci USA 113(35):9810–9815

4. Gray D et al (2005) Maternal embryonic leucine zipper kinase/murine protein serine-threonine kinase 38 is a promising therapeutic target for multiple cancers. Cancer Res 65(21):9751–9761

5. Li YF et al (2013) Network-based approach identified cell cycle genes as predictor of overall survival in lung adenocarcinoma patients. Lung Cancer 80(1):91–98

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1. Protein–Ligand Binding Free-Energy Calculations with ARROW─A Purely First-Principles Parameterized Polarizable Force Field;Journal of Chemical Theory and Computation;2022-12-02

2. Recent progress in general force fields of small molecules;Current Opinion in Structural Biology;2022-02

3. High-Order Ab Initio Valence Force Field with Chemical Pattern-Based Parameter Assignment;Journal of Computational Biophysics and Chemistry;2021-12-29

4. Consensus Virtual Screening Identified [1,2,4]Triazolo[1,5‐ b ]isoquinolines As MELK Inhibitor Chemotypes;ChemMedChem;2021-10-19

5. Recent Developments in Free Energy Calculations for Drug Discovery;Frontiers in Molecular Biosciences;2021-08-11

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