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Integrative In-silico, Network Pharmacology, Pharmacogenomics and In-vitro Evaluation of Fulvestrant-Loaded Zinc
Melphiya D1, Krishnan Namboori P K2, Jawahar N3
1Department of Pharmaceutical Chemistry, JSS College of Pharmacy, JSS Academy of Higher Education and Research, Ooty, 643001, Tamil Nadu, India.
Background:
HER2-positive breast cancer is characterized by the absence of estrogen and progesterone receptors and the overexpression of the HER2 receptor. Existing targeted therapies, leads to side effects like cardiotoxicity, diarrhoea and suffer from poor penetration of the blood brain barrier. Zinc oxide nanoparticles have emerged as a promising drug delivery platform by improving biocompatibility, selective cytotoxicity via reactive oxygen species generation and facilitating effective penetration across biological barriers.
Objective:
Our aim was to synthesize and characterize the Fulvestrant-zinc oxide nanoparticles, evaluate its efficacy in-vitro and ascertain its potential as a therapeutic agent for HER2-positive breast cancer.
Methods:
Pharmacogenomics and gene enrichment process were applied to select target by following computational drug design strategy. Based on molecular docking, MMGBSA and molecular dynamics were undertaken to assess the stability. Subsequently, Fulvestrant-zinc oxide nanoparticles were synthesized and characterized using FT-IR, SEM and DSC techniques. In-vitro assessments involved MTT assays and AO/EtBr staining method.
Results:
Computational results showed Fulvestrant superior HER2 binding, confirmed by molecular dynamics studies. In vitro studies revealed cytotoxicity and apoptosis.
Conclusion:
This study highlights the Fulvestrant-zinc oxide nanoparticles as a promising therapeutic intervention for HER2-positive breast cancer. By undergoing computational approaches, Network analysis and pharmacogenomics.
Insights
Fulvestrant-zinc oxide nanoparticles show promise for treating HER2-positive breast cancer. These nanoparticles demonstrate enhanced HER2 binding and induce cancer cell death, offering a potential new therapy.
Area of Science:
- Nanotechnology
- Oncology
- Pharmacology
Background:
- HER2-positive breast cancer lacks estrogen/progesterone receptors but overexpresses HER2.
- Current therapies cause side effects and have poor blood-brain barrier penetration.
- Zinc oxide nanoparticles offer improved biocompatibility and targeted drug delivery.
Purpose of the Study:
- Synthesize and characterize Fulvestrant-zinc oxide nanoparticles.
- Evaluate in-vitro efficacy for HER2-positive breast cancer.
- Assess therapeutic potential of novel nanoparticles.
Main Methods:
- Computational drug design, molecular docking, and dynamics for target selection and stability.
- Synthesis and characterization of Fulvestrant-zinc oxide nanoparticles (FT-IR, SEM, DSC).
- In-vitro cytotoxicity and apoptosis assays (MTT, AO/EtBr staining).
Main Results:
- Fulvestrant demonstrated superior HER2 binding computationally, confirmed by molecular dynamics.
- In-vitro studies confirmed nanoparticle-induced cytotoxicity and apoptosis.
- Fulvestrant-zinc oxide nanoparticles show significant potential.
Conclusions:
- Fulvestrant-zinc oxide nanoparticles represent a promising therapeutic strategy for HER2-positive breast cancer.
- Computational methods including pharmacogenomics and network analysis were instrumental.
- Further development is warranted for clinical application.
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