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

Epidermal growth factor receptor (EGFR) and vascular endothelial growth factor receptor 2 (VEGFR2) play an important role in cancer growth. Both of them have close relationships. Expression of EGFR will induce an angiogenic factor (VEGF) release for binding with VEGFR2. However, the existence of VEG...

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Veröffentlicht in:	International journal of molecular sciences 2020-10, Vol.21 (20), p.7779
Hauptverfasser:	Sangande, Frangky, Julianti, Elin, Tjahjono, Daryono Hadi
Format:	Artikel
Sprache:	eng
Schlagworte:	Angiogenesis Antineoplastic Agents - chemistry Antineoplastic Agents - pharmacology Binding Binding sites Cancer Cancer therapies Competition Computer applications Databases, Pharmaceutical Drug Evaluation, Preclinical - methods Enzyme inhibitors Enzymes Epidermal growth factor Epidermal growth factor receptors ErbB Receptors - antagonists & inhibitors ErbB Receptors - chemistry ErbB Receptors - metabolism Free energy Growth factors Hydrogen Bonding Hydrogen bonds Hydrogen-based energy Kinases Ligands Molecular docking Molecular Docking Simulation Molecular dynamics Molecular Dynamics Simulation Pharmacology Protein Kinase Inhibitors - chemistry Protein Kinase Inhibitors - pharmacology Protein-tyrosine kinase Signal transduction Simulation Tyrosine Vascular endothelial growth factor Vascular endothelial growth factor receptor 2 Vascular Endothelial Growth Factor Receptor-2 - antagonists & inhibitors Vascular Endothelial Growth Factor Receptor-2 - chemistry Vascular Endothelial Growth Factor Receptor-2 - metabolism Zinc compounds
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