Design, 3D-QSAR, molecular docking, ADMET, molecular dynamics and MM-PBSA simulations for new anti-breast cancer agents

Design, 3D-QSAR, molecular docking, ADMET, molecular dynamics and MM-PBSA simulations for new anti-breast cancer agents

Breast cancer is the most frequent form of malignant tumor in women, and represents a major public health problem due to its high mortality rate. Although a multitude of therapeutic options exist for control of this disease, the emergence of resistance to current pharmaceutical treatments underscore...

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Bibliographic Details
Main Authors:	Said El Rhabori, Marwa Alaqarbeh, Abdellah El Aissouq, Mohammed Bouachrine, Samir Chtita, Fouad Khalil
Format:	Article
Language:	English
Published:	Elsevier 2024-06-01
Series:	Chemical Physics Impact
Subjects:	Breast cancer Qsar Molecular docking Molecular Dynamic ADMET
Online Access:	http://www.sciencedirect.com/science/article/pii/S2667022423002943

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