Identification of Novel Natural Dual HDAC and Hsp90 Inhibitors for Metastatic TNBC Using e-Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Studies

Identification of Novel Natural Dual HDAC and Hsp90 Inhibitors for Metastatic TNBC Using e-Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Studies

Breast cancer (BC) is one of the main types of cancer that endangers women’s lives. The characteristics of triple-negative breast cancer (TNBC) include a high rate of recurrence and the capacity for metastasis; therefore, new therapies are urgently needed to combat TNBC. Dual targeting HDAC6 and Hsp...

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Bibliographic Details
Main Authors: Nihal AbdElmoniem, Marwa H. Abdallah, Rua M. Mukhtar, Fatima Moutasim, Ahmed Rafie Ahmed, Alaa Edris, Walaa Ibraheem, Alaa A. Makki, Eman M. Elshamly, Rashid Elhag, Wadah Osman, Ramzi A. Mothana, Abdulrahim A. Alzain
Format: Article
Language:English
Published: MDPI AG 2023-02-01
Series:Molecules
Subjects:
cancer
HDAC6 and Hsp90
natural products
docking
molecular dynamics
ADMET
Online Access:https://www.mdpi.com/1420-3049/28/4/1771

Internet

https://www.mdpi.com/1420-3049/28/4/1771

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