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Synopsis
This book explores the contribution of computational methods in the search for targeted breast cancer therapies. It focuses on three key receptors: estrogen receptor alpha (ERα), human epidermal growth factor receptor 2 (HER2), and epidermal growth factor receptor (EGFR). Two chemical families, pyrazole-benzimidazole derivatives and Baloxavir analogs, were evaluated through QSAR modeling, molecular docking, ADMET predictions, and molecular dynamics simulations. The first study identified two compounds with strong binding affinity and favorable pharmacokinetic properties. The second revealed several Baloxavir derivatives with promising multi-target activity, including one lead compound showing stable interactions with all three receptors. These results highlight the potential of in silico techniques in early-stage drug discovery and provide a foundation for further biological validation, supporting the development of more effective and personalized treatments for breast cancer.
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Targeting Breast Cancer: A Journey from Design to Dynamics
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Targeting Breast Cancer (Paperback)
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Paperback. Condition: new. Paperback. This book explores the contribution of computational methods in the search for targeted breast cancer therapies. It focuses on three key receptors: estrogen receptor alpha (ERa), human epidermal growth factor receptor 2 (HER2), and epidermal growth factor receptor (EGFR). Two chemical families, pyrazole-benzimidazole derivatives and Baloxavir analogs, were evaluated through QSAR modeling, molecular docking, ADMET predictions, and molecular dynamics simulations. The first study identified two compounds with strong binding affinity and favorable pharmacokinetic properties. The second revealed several Baloxavir derivatives with promising multi-target activity, including one lead compound showing stable interactions with all three receptors. These results highlight the potential of in silico techniques in early-stage drug discovery and provide a foundation for further biological validation, supporting the development of more effective and personalized treatments for breast cancer. Shipping may be from our UK warehouse or from our Australian or US warehouses, depending on stock availability. Seller Inventory # 9786207463428
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Targeting Breast Cancer: A Journey from Design to Dynamics
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LAP LAMBERT Academic Publishing Jul 2025, 2025
ISBN 10: 6207463420
ISBN 13: 9786207463428
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Targeting Breast Cancer: A Journey from Design to Dynamics : Targeting Breast Cancer Through Computational Drug Discovery
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LAP LAMBERT Academic Publishing, 2025
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Targeting Breast Cancer: A Journey from Design to Dynamics
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Targeting Breast Cancer: A Journey from Design to Dynamics
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