Title of article :
Molecular Dynamics Simulation, Characterization and In Vitro Drug Release of Isoniazid Loaded Poly-ε-caprolactone Magnetite Nanocomposite
Author/Authors :
Khatibi, Aram-Dokht Department of Environmental Health - School of Public Health - Zahedan University of Medical Sciences, Zahedan, Iran , Es’haghi, Zarrin Department of Chemistry - Payame Noor University, Tehran, Iran , Mosaddeghi, Hamid Department of Chemistry - Payame Noor University, Tehran, Iran , Balarak, Davoud Department of Environmental Health - School of Public Health - Zahedan University of Medical Sciences, Zahedan, Iran
Abstract :
Background: This study reports on the development of a controlled-release isoniazid (INH)
drug delivery system using poly-є-caprolactone (PCL) functionalized magnetite-nanoparticles
(MNPs), as a theoretical potential tool for tuberculosis (TB) chemotherapy.
Method: The magnetite Fe3O4 core was fabricated by the co-precipitation method and coated
with PCL by emulsion polymerization. INH was loaded onto the PCL-MNP surface to shape
an INH-PCL-MNP nanocomposite. Deposing the INH on the nanocomposite surface was
demonstrated through the molecular dynamics simulations. To investigate the stability of
the polymer, the root-mean-square deviation (RMSD) and the radius of gyration (Rg) were
calculated. The composite was characterized by Scanning electron microscopy (SEM) and
X-Ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR). Mycobacterium
tuberculosis was used to assess the antimicrobial activity of the nanoparticles. The drug loading
efficiency, drug content, and in-vitro release behavior of the INH-PCL-MNPs were evaluated
by UV–Vis spectrophotometry.
Results: RMSD of PCL show that the structure of polymer after 40 ns is stable. INH molecules
interested to spend more time close to the polymer. Rg of PCL indicated that PCL folded and
radius of gyration changed near 1nm. The drug loading efficiency and drug content of the
NPs were 720±46 mg/g and 69.3±3.8 (%), respectively. The compound showed a strong level
of activity in-vitro. The amount of drug release at all times was above the minimum inhibitory
concentration (MIC) (6 μg/ml).
Conclusion: INH-PCL-MNP nanocomposite have been effectively used as a potential tool to
treat TB infections and a magnetic drug carrier system.
Keywords :
Drug delivery , Magnetite nanoparticles , Poly-є-caprolactone , Isoniazid , Tuberculosis , Molecular dynamics simulation
Journal title :
Pharmaceutical Sciences