Targeting Breast Cancer: A Journey from Design to Dynamics: Targeting Breast Cancer Through Computational Drug Discovery - Couverture souple

Belghalia, Etibaria; Sbai, Abdelouahid; Bouachrine, Mohammed

 
9786207463428: Targeting Breast Cancer: A Journey from Design to Dynamics: Targeting Breast Cancer Through Computational Drug Discovery
Couverture souple
ISBN 10 : 6207463420 ISBN 13 : 9786207463428
Editeur : LAP LAMBERT Academic Publishing, 2025

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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Éditeur
LAP LAMBERT Academic Publishing
Date d'édition
2025
Langue
anglais
ISBN 10 
6207463420
ISBN 13 
9786207463428
Reliure
Broché
Nombre de pages
108
Coordonnées du fabricant
non disponible
Personne responsable
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