Screening of Phytocompounds for Identification of Prospective Histone Deacetylase 1 (HDAC1) Inhibitor: An In Silico Molecular Docking, Molecular Dynamics Simulation, and MM-GBSA Approach
Author:
Publisher
Springer Science and Business Media LLC
Subject
Molecular Biology,Applied Microbiology and Biotechnology,Biochemistry,General Medicine,Bioengineering,Biotechnology
Link
https://link.springer.com/content/pdf/10.1007/s12010-023-04731-3.pdf
Reference39 articles.
1. Yang, F., Zhao, N., Ge, D., & Chen, Y. (2019). Next-generation of selective histone deacetylase inhibitors. RSC Advances, 9, 19571–19583. https://doi.org/10.1039/C9RA02985K
2. Sixto-López, Y., Bello, M., & Correa-Basurto, J. (2019). Insights into structural features of HDAC1 and its selectivity inhibition elucidated by molecular dynamic simulation and molecular docking. Journal of Biomolecular Structure & Dynamics, 37, 584–610. https://doi.org/10.1080/07391102.2018.1441072
3. Kelly, R. D. W., & Cowley, S. M. (2013). The physiological roles of histone deacetylase (HDAC) 1 and 2: Complex co-stars with multiple leading parts. Biochemical Society Transactions, 41, 741–749. https://doi.org/10.1042/BST20130010
4. Choubey, S. K., & Jeyaraman, J. (2016). A mechanistic approach to explore novel HDAC1 inhibitor using pharmacophore modeling, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation study. Journal of Molecular Graphics and Modelling, 70, 54–69. https://doi.org/10.1016/j.jmgm.2016.09.008
5. Staberg, M., Michaelsen, S. R., Rasmussen, R. D., Villingshøj, M., Poulsen, H. S., & Hamerlik, P. (2017). Inhibition of histone deacetylases sensitizes glioblastoma cells to lomustine. Cellular Oncology (Dordr), 40, 21–32. https://doi.org/10.1007/s13402-016-0301-9
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