Dissecting the molecular recognition of dual lapatinib derivatives for EGFR/HER2

Structural and energetic basis for the molecular recognition of dual synthetic vs. natural inhibitors of EGFR/HER2

(2018) Martiniano Bello et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Binding mechanism of kinase inhibitors to EGFR and T790M, L858R and L858R/T790M mutants through structural and energetic analysis

(2018) Martiniano Bello   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Computational and Experimental Characterization of Patient Derived Mutations Reveal an Unusual Mode of Regulatory Spine Assembly and Drug Sensitivity in EGFR Kinase

(2016) Zheng Ruan et al.   BIOCHEMISTRY

Kinase hinge binding scaffolds and their hydrogen bond patterns

(2015) Li Xing et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Design and synthesis of Lapatinib derivatives containing a branched side chain as HER1/HER2 targeting antitumor drug candidates

(2014) Aifeng Lyu et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Human Breast Cancer Cells Harboring a Gatekeeper T798M Mutation in HER2 Overexpress EGFR Ligands and Are Sensitive to Dual Inhibition of EGFR and HER2

(2013) B. N. Rexer et al.   CLINICAL CANCER RESEARCH

In silico design: Extended molecular dynamic simulations of a new series of dually acting inhibitors against EGFR and HER2

(2013) Marawan Ahmed et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Optimization of Substituted 6-Salicyl-4-Anilinoquinazoline Derivatives as Dual EGFR/HER2 Tyrosine Kinase Inhibitors

(2013) Dong-Dong Li et al.   PLoS One

Alterations in epidermal growth factor receptors 1 and 2 in esophageal squamous cell carcinomas

(2012) Isabela Martins Gonzaga et al.   BMC CANCER

ZINC: A Free Tool to Discover Chemistry for Biology

(2012) John J. Irwin et al.   Journal of Chemical Information and Modeling

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

(2012) Bill R. Miller et al.   Journal of Chemical Theory and Computation

Structural Analysis of the Mechanism of Inhibition and Allosteric Activation of the Kinase Domain of HER2 Protein

(2011) Kathleen Aertgeerts et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Catalytic Control in the EGF Receptor and Its Connection to General Kinase Regulatory Mechanisms

(2011) Natalia Jura et al.   MOLECULAR CELL

EGFR Signaling and Drug Discovery

(2010) Georg Lurje et al.   ONCOLOGY

MolProbity: all-atom structure validation for macromolecular crystallography

(2009) Vincent B. Chen et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Quantitative Prediction of Fold Resistance for Inhibitors of EGFR

(2009) Trent E. Balius et al.   BIOCHEMISTRY

Equally Potent Inhibition of c-Src and Abl by Compounds that Recognize Inactive Kinase Conformations

(2009) M. A. Seeliger et al.   CANCER RESEARCH

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Protein kinase inhibitors: contributions from structure to clinical compounds

(2009) Louise N. Johnson   QUARTERLY REVIEWS OF BIOPHYSICS

Lapatinib: A dual inhibitor of human epidermal growth factor receptor tyrosine kinases

(2008) P MEDINA et al.   CLINICAL THERAPEUTICS

The T790M mutation in EGFR kinase causes drug resistance by increasing the affinity for ATP

(2008) C.-H. Yun et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA