Molecular modeling, dynamics simulations, and binding efficiency of berberine derivatives: A new group of RAF inhibitors for cancer treatment
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Title
Molecular modeling, dynamics simulations, and binding efficiency of berberine derivatives: A new group of RAF inhibitors for cancer treatment
Authors
Keywords
Free energy, Molecular dynamics, MAPK signaling cascades, Molecular docking, Crystal structure, Hydrogen bonding, Protein kinase signaling cascade, Cancer treatment
Journal
PLoS One
Volume 13, Issue 3, Pages e0193941
Publisher
Public Library of Science (PLoS)
Online
2018-03-23
DOI
10.1371/journal.pone.0193941
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Note: Only part of the references are listed.- Molecular Modelling of Berberine Derivatives as Inhibitors of Human Smoothened Receptor and Hedgehog Signalling Pathway Using a Newly Developed Algorithm on Anti-Cancer Drugs
- (2017) Parham Jabbarzadeh Kaboli et al. Recent Patents on Anti-Cancer Drug Discovery
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- (2015) D. Blasi et al. ACTA CRYSTALLOGRAPHICA SECTION A
- Berberine Up-Regulates Hepatic Low-Density Lipoprotein Receptor through Ras-Independent but AMP-Activated Protein Kinase-Dependent Raf-1 Activation
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- Alternative variables in drug discovery: promises and challenges
- (2014) Cele Abad-Zapatero et al. Future Medicinal Chemistry
- Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies
- (2014) Katarzyna B. Koziara et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Automatic GROMACS Topology Generation and Comparisons of Force Fields for Solvation Free Energy Calculations
- (2014) Magnus Lundborg et al. JOURNAL OF PHYSICAL CHEMISTRY B
- BRAF V600E-mutated lung adenocarcinoma with metastases to the brain responding to treatment with vemurafenib
- (2014) Sara D. Robinson et al. LUNG CANCER
- Mutation analysis of key genes in RAS/RAF and PI3K/PTEN pathways in Chinese patients with hepatocellular carcinoma
- (2014) WENMIN HOU et al. Oncology Letters
- The pharmacological impact of ATP-binding cassette drug transporters on vemurafenib-based therapy
- (2014) Chung-Pu Wu et al. Acta Pharmaceutica Sinica B
- Targeting the PI3K/AKT/mTOR and Raf/MEK/ERK pathways in the treatment of breast cancer
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- Discovery, synthesis and biological evaluation of cycloprotoberberine derivatives as potential antitumor agents
- (2013) Yang-Biao Li et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Inhibition of PI3K/mTOR Leads to Adaptive Resistance in Matrix-Attached Cancer Cells
- (2012) Taru Muranen et al. CANCER CELL
- Computational study of EGFR inhibition: molecular dynamics studies on the active and inactive protein conformations
- (2012) Napat Songtawee et al. JOURNAL OF MOLECULAR MODELING
- Correction for Wang et al., Ligand binding to protein-binding pockets with wet and dry regions
- (2012) PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Involvement of mitochondrial and B-RAF/ERK signaling pathways in berberine-induced apoptosis in human melanoma cells
- (2011) Ana Burgeiro et al. ANTI-CANCER DRUGS
- MEK1/2 dual-specificity protein kinases: Structure and regulation
- (2011) Robert Roskoski BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
- An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0
- (2011) Alpeshkumar K. Malde et al. Journal of Chemical Theory and Computation
- Ligand Efficiency Indices (LEIs): More than a Simple Efficiency Yardstick
- (2011) Cele Abad-Zapatero et al. Molecular Informatics
- RAF protein-serine/threonine kinases: Structure and regulation
- (2010) Robert Roskoski BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
- Non-oxime inhibitors of B-RafV600E kinase
- (2010) Li Ren et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Non-oxime pyrazole based inhibitors of B-Raf kinase
- (2010) Bradley J. Newhouse et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- RAF inhibitors prime wild-type RAF to activate the MAPK pathway and enhance growth
- (2010) Georgia Hatzivassiliou et al. NATURE
- Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma
- (2010) Gideon Bollag et al. NATURE
- Cytotoxicity of berberine on human cervical carcinoma HeLa cells through mitochondria, death receptor and MAPK pathways, and in-silico drug-target prediction
- (2010) Binan Lu et al. TOXICOLOGY IN VITRO
- Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
- (2008) J. Tsai et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
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