Understanding the Hsp90 N-Terminal Dynamics: Structural and Molecular Insights into the Therapeutic Activities of Anticancer Inhibitors Radicicol (RD) and Radicicol Derivative (NVP-YUA922)
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Title
Understanding the Hsp90 N-Terminal Dynamics: Structural and Molecular Insights into the Therapeutic Activities of Anticancer Inhibitors Radicicol (RD) and Radicicol Derivative (NVP-YUA922)
Authors
Keywords
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Journal
MOLECULES
Volume 25, Issue 8, Pages 1785
Publisher
MDPI AG
Online
2020-04-14
DOI
10.3390/molecules25081785
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Note: Only part of the references are listed.- Cancer statistics, 2019
- (2019) Rebecca L. Siegel et al. CA-A CANCER JOURNAL FOR CLINICIANS
- Tumor Energy Metabolism and Potential of 3-Bromopyruvate as an Inhibitor of Aerobic Glycolysis: Implications in Tumor Treatment
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- (2019) Leandro Fórnias Machado de Rezende et al. Cancer Epidemiology
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- (2019) Umar Ndagi et al. Russian Journal of Physical Chemistry A
- Dual targeting approach for Mycobacterium tuberculosis drug discovery: insights from DFT calculations and molecular dynamics simulations
- (2019) Murtala A. Ejalonibu et al. STRUCTURAL CHEMISTRY
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- (2018) Noam da Silva et al. JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
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- (2018) B. Sepehri et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
- DFT study of the acid-catalyzed esterification reaction mechanism of methanol with carboxylic acid and its halide derivatives
- (2017) Monsurat M. Lawal et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- 3D-QSAR, molecular docking, and molecular dynamic simulations for prediction of new Hsp90 inhibitors based on isoxazole scaffold
- (2017) Maryam Abbasi et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
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- (2017) Karen Sargsyan et al. Journal of Chemical Theory and Computation
- Heat shock protein 90: its inhibition and function
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- The Hsp70/Hsp90 Chaperone Machinery in Neurodegenerative Diseases
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- (2016) D. Chen et al. Science Advances
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- (2014) Anna Sophie Berghoff et al. ACTA NEUROPATHOLOGICA
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- (2014) Rubarani P. Gangadharan et al. ACTA PHYSICA POLONICA A
- Phase I dose-escalation study of the HSP90 inhibitor AUY922 in Japanese patients with advanced solid tumors
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- (2013) Eric D. Glendening et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
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- Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
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- (2008) S. A. Eccles et al. CANCER RESEARCH
- 4,5-Diarylisoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer
- (2007) Paul A. Brough et al. JOURNAL OF MEDICINAL CHEMISTRY
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