Comparative molecular dynamics analyses on PIK3CA hotspot mutations with PI3Kα specific inhibitors and ATP
Published 2022 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Comparative molecular dynamics analyses on PIK3CA hotspot mutations with PI3Kα specific inhibitors and ATP
Authors
Keywords
-
Journal
COMPUTATIONAL BIOLOGY AND CHEMISTRY
Volume 99, Issue -, Pages 107726
Publisher
Elsevier BV
Online
2022-07-09
DOI
10.1016/j.compbiolchem.2022.107726
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Abstract P5-17-05: A phase I/Ib study of inavolisib (GDC-0077) in combination with fulvestrant in patients (pts) with PIK3CA-mutated hormone receptor-positive/HER2-negative (HR+/HER2-) metastatic breast cancer
- (2022) Dejan Juric et al. CANCER RESEARCH
- Mechanistic behavior and subtle key events during DNA clamp opening and closing in T4 bacteriophage
- (2022) Vijay Kumar Bhardwaj et al. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
- A lesson for the maestro of the replication fork: Targeting the protein‐binding interface of proliferating cell nuclear antigen for anticancer therapy
- (2022) Vijay Kumar Bhardwaj et al. JOURNAL OF CELLULAR BIOCHEMISTRY
- PI3K Inhibitors in Cancer: Clinical Implications and Adverse Effects
- (2021) Rosalin Mishra et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- In silico studies reveal structural deviations of mutant profilin-1 and interaction with riluzole and edaravone in amyotrophic lateral sclerosis
- (2021) Ahmad Shahir Sadr et al. Scientific Reports
- RTK-dependent inducible degradation of mutant PI3Kα drives GDC-0077 (Inavolisib) efficacy
- (2021) Kyung W Song et al. Cancer Discovery
- gmx_MMPBSA: A New Tool to Perform End-State Free Energy Calculations with GROMACS
- (2021) Mario S. Valdés-Tresanco et al. Journal of Chemical Theory and Computation
- Results of a phase Ib trial evaluating the safety and clinical activity of sapanisertib (TAK 228) in combination with serabelisib (TAK 117) and paclitaxel in patients with advanced ovarian, endometrial, or breast cancer.
- (2020) Casey B. Williams et al. JOURNAL OF CLINICAL ONCOLOGY
- In-silico prediction of potential inhibitors against phosphatidylinositol 3-kinase catalytic subunit alpha involved in head and neck squamous cell carcinomas
- (2020) Geet Madhukar et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Targeting PI3K in cancer: mechanisms and advances in clinical trials
- (2019) Jing Yang et al. Molecular Cancer
- PI3K isoforms in cell signalling and vesicle trafficking
- (2019) Benoit Bilanges et al. NATURE REVIEWS MOLECULAR CELL BIOLOGY
- Alpelisib for PIK3CA-Mutated, Hormone Receptor–Positive Advanced Breast Cancer
- (2019) Fabrice André et al. NEW ENGLAND JOURNAL OF MEDICINE
- Targeting the PI3K pathway in cancer: are we making headway?
- (2018) Filip Janku et al. Nature Reviews Clinical Oncology
- Molecular Dynamics Simulation for All
- (2018) Scott A. Hollingsworth et al. NEURON
- Insights into the mechanism of the PIK3CA E545K activating mutation using MD simulations
- (2018) Hari Leontiadou et al. Scientific Reports
- A Phase Ib Study of Alpelisib (BYL719), a PI3Kα-Specific Inhibitor, with Letrozole in ER + /HER2 − Metastatic Breast Cancer
- (2016) Ingrid A. Mayer et al. CLINICAL CANCER RESEARCH
- Role of E542 and E545 missense mutations of PIK3CA in breast cancer: a comparative computational approach
- (2016) D. Thirumal Kumar et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- PI3K signalling in inflammation
- (2015) P.T. Hawkins et al. BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR AND CELL BIOLOGY OF LIPIDS
- Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation
- (2015) Tea Pemovska et al. NATURE
- Characterization of the Novel and Specific PI3K Inhibitor NVP-BYL719 and Development of the Patient Stratification Strategy for Clinical Trials
- (2014) C. Fritsch et al. MOLECULAR CANCER THERAPEUTICS
- A series of PDB-related databanks for everyday needs
- (2014) Wouter G. Touw et al. NUCLEIC ACIDS RESEARCH
- GRIN2Bmutations in west syndrome and intellectual disability with focal epilepsy
- (2013) Johannes R. Lemke et al. ANNALS OF NEUROLOGY
- Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation
- (2013) Pascal Furet et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Emerging landscape of oncogenic signatures across human cancers
- (2013) Giovanni Ciriello et al. NATURE GENETICS
- Selective Inhibition of Phosphoinositide 3-Kinase p110α Preserves Lymphocyte Function
- (2012) Lomon So et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- MMPBSA.py: An Efficient Program for End-State Free Energy Calculations
- (2012) Bill R. Miller et al. Journal of Chemical Theory and Computation
- Regulation of lipid binding underlies the activation mechanism of class IA PI3-kinases
- (2011) W-C Hon et al. ONCOGENE
- Open Babel: An open chemical toolbox
- (2011) Noel M O'Boyle et al. Journal of Cheminformatics
- Prognostic factors for survival in melanoma patients with brain metastases
- (2010) Michael A. Davies et al. CANCER
- Docking Studies on Isoform-Specific Inhibition of Phosphoinositide-3-Kinases
- (2010) Dima A. Sabbah et al. Journal of Chemical Information and Modeling
- Improved side-chain torsion potentials for the Amber ff99SB protein force field
- (2010) Kresten Lindorff-Larsen et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Helical domain and kinase domain mutations in p110 of phosphatidylinositol 3-kinase induce gain of function by different mechanisms
- (2008) L. Zhao et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now