Virtual screening, XGBoost based QSAR modelling, Molecular Docking and Molecular Dynamics Simulation approach to discover a new inhibitor targeting ErbB1 Protein
Fateh Bouchama,
Khairedine Kraim,
Mohammed Brahimi
et al.
Abstract:ErbB1 is a protein found on certain types of human cells that binds to a substance called epidermal growth factor (EGFR). The ErbB1 protein is involved in cell signalling pathways that control cell division, proliferation, and survival. Sometimes, mutations in the EGFR gene cause ErbB1 proteins to be made in higher-than-normal amounts on some types of cancer cells. The aim of this study is using the virtual screening based on ligand and structure drug design using respectively QSAR, molecular docking & mol… Show more
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