Repurposing Nirmatrelvir for Hepatocellular Carcinoma: Network Pharmacology and Molecular Dynamics Simulations Identify HDAC3 as a Key Molecular Target

Repurposing Nirmatrelvir for Hepatocellular Carcinoma: Network Pharmacology and Molecular Dynamics Simulations Identify HDAC3 as a Key Molecular Target

<h3>Background</h3><p dir="ltr">Hepatocellular carcinoma (HCC) is one of the most common and fatal malignancies worldwide, characterized by remarkable molecular heterogeneity and poor clinical outcomes. Despite advancements in diagnosis and treatment, the prognosis for HC...

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Bibliographic Details
Main Author: Muhammad Suleman (3829027) (author)
Other Authors: Hira Arbab (22443761) (author), Hadi M. Yassine (22136905) (author), Abrar Mohammad Sayaf (11644294) (author), Usama Ilahi (22443762) (author), Mohammed Alissa (18607830) (author), Abdullah Alghamdi (14375904) (author), Suad A. Alghamdi (21998691) (author), Sergio Crovella (20921252) (author), Abdullah Shaito (20545181) (author)
Published: 2025
Subjects:
Biological sciences
Biochemistry and cell biology
Bioinformatics and computational biology
Biomedical and clinical sciences
Clinical sciences
Oncology and carcinogenesis
Pharmacology and pharmaceutical sciences
Chemical sciences
Medicinal and biomolecular chemistry
Health sciences
Public health
HCC
HDAC3
network pharmacology
molecular docking
MD simulation
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