Ligand-Based Pharmacophore Modeling, Molecular Docking, and Molecular Dynamic Studies of Dual Tyrosine Kinase Inhibitor of EGFR and VEGFR2

SWISS-MODEL: homology modelling of protein structures and complexes

(2018) Andrew Waterhouse et al.   NUCLEIC ACIDS RESEARCH

Automated Topology Builder Version 3.0: Prediction of Solvation Free Enthalpies in Water and Hexane

(2018) Martin Stroet et al.   Journal of Chemical Theory and Computation

Identification of new potent phthalazine derivatives with VEGFR-2 and EGFR kinase inhibitory activity

(2016) Kamilia M. Amin et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Design and discovery of 4-anilinoquinazoline-acylamino derivatives as EGFR and VEGFR-2 dual TK inhibitors

(2016) Hai-Qi Zhang et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

DOCK 6: Impact of new features and current docking performance

(2015) William J. Allen et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Mechanisms of resistance to EGFR tyrosine kinase inhibitors

(2015) Lihua Huang et al.   Acta Pharmaceutica Sinica B

In Silico Discovery of Potential VEGFR-2 Inhibitors from Natural Derivatives for Anti-Angiogenesis Therapy

(2014) Jing Li et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Synthesis, Molecular Docking and Biological Evaluation of Glycyrrhizin Analogs as Anticancer Agents Targeting EGFR

(2014) Yong-An Yang et al.   MOLECULES

Vandetanib in Advanced Medullary Thyroid Cancer: Review of Adverse Event Management Strategies

(2013) Enrique Grande et al.   ADVANCES IN THERAPY

Epidermal growth factor receptor targeting in cancer: A review of trends and strategies

(2013) Chetan Yewale et al.   BIOMATERIALS

Novel VEGFR-2 kinase inhibitors identified by the back-to-front approach

(2013) Kingkan Sanphanya et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Novel 2-chloro-4-anilino-quinazoline derivatives as EGFR and VEGFR-2 dual inhibitors

(2013) Maria Letícia de Castro Barbosa et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

An Integrated Virtual Screening Approach for VEGFR-2 Inhibitors

(2013) Yanmin Zhang et al.   Journal of Chemical Information and Modeling

Protein Kinase Inhibitor Design by Targeting the Asp-Phe-Gly (DFG) Motif: The Role of the DFG Motif in the Design of Epidermal Growth Factor Receptor Inhibitors

(2013) Yi-Hui Peng et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of novel EGFR tyrosine kinase inhibitors by structure-based virtual screening

(2012) Siyuan Li et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Targeting the EGFR signaling pathway in cancer therapy

(2012) Parthasarathy Seshacharyulu et al.   EXPERT OPINION ON THERAPEUTIC TARGETS

Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking

(2012) Michael M. Mysinger et al.   JOURNAL OF MEDICINAL CHEMISTRY

ZINCPharmer: pharmacophore search of the ZINC database

(2012) D. R. Koes et al.   NUCLEIC ACIDS RESEARCH

Discovery of benzimidazole derivatives as novel multi-target EGFR, VEGFR-2 and PDGFR kinase inhibitors

(2011) Yunqi Li et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Molecular dynamics simulations and MM/GBSA methods to investigate binding mechanisms of aminomethylpyrimidine inhibitors with DPP-IV

(2011) Liang Desheng et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Pharmacophore modelling, molecular docking and virtual screening for EGFR (HER 1) tyrosine kinase inhibitors

(2011) A.K. Gupta et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

ZD6474, a dual tyrosine kinase inhibitor of EGFR and VEGFR-2, inhibits MAPK/ERK and AKT/PI3-K and induces apoptosis in breast cancer cells

(2010) Siddik Sarkar et al.   CANCER BIOLOGY & THERAPY

Pharmacophore modeling and virtual screening studies for new VEGFR-2 kinase inhibitors

(2010) Kyungik Lee et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Validation of Molecular Docking Programs for Virtual Screening against Dihydropteroate Synthase

(2009) Kirk E. Hevener et al.   Journal of Chemical Information and Modeling

Combined Inhibition of the VEGFR and EGFR Signaling Pathways in the Treatment of NSCLC

(2009) N. A. Pennell et al.   ONCOLOGIST

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation