Identifying Drugs to Fight Cancer: Alectinib as a Potential Inhibitor
Author Information
Author(s): Alrouji Mohammed, Yasmin Sabina, Alshammari Mohammed S., Alhumaydhi Fahad A., Sharaf Sharaf E., Shahwan Moyad, Shamsi Anas
Primary Institution: King Khalid University
Hypothesis
Can repurposed drugs effectively inhibit Histone deacetylase 1 (HDAC1) in cancer therapy?
Conclusion
Alectinib shows promise as a potential inhibitor of HDAC1, which could be beneficial in cancer treatment.
Supporting Evidence
- Alectinib exhibited a higher affinity for HDAC1 than the reference inhibitor Pyroxamide.
- MD simulations showed that Alectinib stabilizes HDAC1 with minimal structural changes.
- Drug profiling indicated Alectinib's potential for antineoplastic and antimetastatic activities.
Takeaway
Researchers found that an existing cancer drug, Alectinib, might also help fight another type of cancer by blocking a specific protein.
Methodology
The study used virtual screening, molecular docking, and molecular dynamics simulations to identify and analyze potential HDAC1 inhibitors.
Limitations
The study is limited by the lack of experimental validation and requires further in vitro and in vivo studies.
Digital Object Identifier (DOI)
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