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Characterization of folic acid-functionalized PLA-PEG nanomicelle to deliver Letrozole: A nanoinformatics study
Neda Rostami1, Reza Davarnejad1
1Department of Chemical Engineering, Faculty of Engineering, Arak University, Arak, Iran.
Abstract:
Effective cancer treatment is currently the number one challenge to human health. To date, several treatment methods have been introduced for cancer cell targeting. Among the proposed new methods for attacking cancer cells, nanotechnology has attracted much attention. Hence, various nanocarriers have been developed for targeted delivery of available drugs and improve their effectiveness against malignant cells. The PLA-PEG functionalised with folic acid (PLA-PEG-FA) is one of the nanocarriers with a limited range of applications for targeting cancer cells. In this investigation, different types of in-silico methods such as molecular docking approach, molecular dynamics simulation and free energy calculations are employed to characterise the carriers studied. The effectiveness of PLA-PEG-FA and PLA-PEG in delivering Letrozole as an aromatase inhibitor in cancer cells is examined. It is found that in the presence of folic acid, the stability and cell membrane permeability of nanomicelle are increased. Therefore, PLA-PEG-FA can be considered as a versatile carrier that can increase the effectiveness of aromatase inhibitors (such as Letrozole) and reduce their side effects.
Insights
This study shows that folic acid enhances the stability and cell membrane permeability of PLA-PEG nanocarriers. This improved nanocarrier delivery system increases the effectiveness of aromatase inhibitors like Letrozole in cancer treatment.
Area of Science:
- Nanotechnology
- Computational Chemistry
- Pharmacology
Background:
- Cancer treatment remains a significant global health challenge.
- Nanotechnology offers promising strategies for targeted cancer therapy.
- Developing effective nanocarriers is crucial for drug delivery.
Purpose of the Study:
- To investigate the potential of PLA-PEG functionalized with folic acid (PLA-PEG-FA) as a nanocarrier for cancer treatment.
- To evaluate the effectiveness of PLA-PEG-FA in delivering Letrozole, an aromatase inhibitor.
- To characterize PLA-PEG-FA using in-silico methods.
Main Methods:
- In-silico methods including molecular docking, molecular dynamics simulation, and free energy calculations were employed.
- The study characterized the PLA-PEG-FA nanocarrier.
- The delivery of Letrozole by PLA-PEG-FA and PLA-PEG was examined.
Main Results:
- Folic acid significantly enhances the stability of the PLA-PEG nanocarrier.
- The presence of folic acid increases the cell membrane permeability of the nanocarrier.
- PLA-PEG-FA demonstrated improved delivery of Letrozole compared to PLA-PEG.
Conclusions:
- PLA-PEG-FA is a versatile nanocarrier with enhanced properties due to folic acid functionalization.
- This nanocarrier system can improve the efficacy of aromatase inhibitors like Letrozole.
- The developed nanocarrier holds potential for reducing side effects associated with cancer therapeutics.
