Poly (n-butyl cyanoacrylate) as a nanocarrier for rivastigmine transport across the blood-brain barrier in Alzheimer's disease treatment: a perspective from molecular dynamics simulations

Journal of Molecular Modeling
Seyed Vahid Mousavi, Seyed Majid Hashemianzadeh

Abstract

In this study, molecular dynamics simulations have been used to investigate the behavior of the drug rivastigmine and its carrier so-called poly (n-butyl cyanoacrylate) in the encapsulation process. Polymer modeling, and subsequently the emulsion polymerization model, were applied to analyze drug release in vitro and to justify rivastigmine transport across the blood-brain barrier (BBB) and polymer agglomeration. On the other hand, suitable polymer chain length, encapsulation method, polarity between polymer and drug structure, and finally, pattern of drug released in vitro and in vivo have been investigated to analyze the behavior of drug and polymer accurately. Maximum drug loading was determined based on the modeling of drug encapsulation and comparison of the radius of gyration of polymer (Rg) and distance between center of masses (COMs) of rivastigmine molecules and polymer in equilibrium condition (A°). With the aim of better understanding of drug release, we calculated the Flory-Huggins interaction parameter, diffusion coefficient, and intermolecular interaction energy. The results reveal that more drug molecules remain on the surface of the polymeric structure, with increasing the concentration of rivastigmine molecules...Continue Reading

References

Oct 26, 2005·Journal of Controlled Release : Official Journal of the Controlled Release Society·Celeste RoneyTejraj M Aminabhavi
Jan 18, 2006·Annual Review of Medicine·A LleóJ H Growdon
Feb 22, 2007·The Journal of Physical Chemistry. B·Sheetal S JawalkarTejraj M Aminabhavi
Dec 2, 2008·Expert Opinion on Drug Delivery·Bengt Winblad, João Carlos Machado
Feb 21, 2009·Journal of Computational Chemistry·L MartínezJ M Martínez
Dec 8, 2010·Journal of Controlled Release : Official Journal of the Controlled Release Society·Jasjeet Kaur SahniCharles Ramassamy
Dec 21, 2010·Journal of Molecular Graphics & Modelling·Uthumporn ArsawangSupot Hannongbua
Feb 10, 2011·Nature Reviews. Neurology·Christiane ReitzRichard Mayeux
Mar 12, 2011·Neuroscience and Biobehavioral Reviews·Laura A CraigRobert J McDonald
Feb 23, 2012·Chemistry : a European Journal·Matteo CalvaresiFrancesco Zerbetto
Jan 8, 2013·Journal of Molecular Graphics & Modelling·Chompoonut RungnimHisashi Okumura
Oct 18, 2013·Journal of Medicinal Chemistry·Michela RosiniCarlo Melchiorre
Jan 4, 2015·Cell Biochemistry and Biophysics·Yanen WangShengmin Wei
Jun 6, 2015·Journal of Molecular Modeling·Fariba RazmimaneshHamid Modarress
Jul 8, 2015·Neuropeptides·Sagar H Barage, Kailas D Sonawane
Jul 10, 2012·Journal of Chemical Theory and Computation·Vytautas GapsysBert L de Groot
Nov 26, 2015·European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences·Mahboobeh EslamiSeyed Abolfazl Seyed Sajadi
Dec 18, 2016·Drug Discovery Today. Technologies·Anshuman DasguptaTwan Lammers
Jan 9, 2017·European Journal of Medicinal Chemistry·Jakub JeřábekMaria Laura Bolognesi
Jun 12, 2017·The Kaohsiung Journal of Medical Sciences·Tzu-Hua ChenYuan-Han Yang

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Citations

Dec 16, 2020·Emerging Topics in Life Sciences·Parasuraman PadmanabhanBalázs Gulyás

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