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Drug-Nanoparticle Composites: A Predictive Model for Mass Loading
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Author(s): Natalia Sizochenko (Interdisciplinary Center of Nanotoxicity, Department of Chemistry, Physics and Atmospheric Sciences, Jackson State University, Jackson, MS, USA)and Jerzy Leszczynski (Interdisciplinary Center for Nanotoxicity, Department of Chemistry, Physics and Atmospheric Sciences, Jackson State University, Jackson, MS, USA)
Copyright: 2017
Volume: 2
Issue: 1
Pages: 10
Source title:
Journal of Nanotoxicology and Nanomedicine (JNN)
Editor(s)-in-Chief: Bakhtiyor Rasulev (North Dakota State University, USA)
DOI: 10.4018/JNN.2017010101
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Abstract
Polymeric nanoparticles represent attractive targets for the controlled delivery of therapeutic drugs. Drug-nanoparticle conjugates are convenient targets to enhance solubility and membrane permeability of drugs, prolong circulation time and minimize non-specific uptake. The behavior of drugs-loaded nanoparticles is governed by various factors. Understanding of these effects is very important for design of drug-nanoparticle systems, that could be suitable for treating the particular diseases. The aim of the current study is a complementary molecular docking followed by quantitative structure-activity relationships modeling for drugs payload on polymeric nanoparticles. Twenty-one approved drugs were considered. Docking of drugs was performed towards a simplified polymeric surface. Binding energies agreed well with the observed mass loading. Quantitative structure-activity relationships model supported this data. Effects of electronegativity and hydrophobicity were discussed. Developed model may contribute to the development of other useful nano-sized polymeric drug carriers to deliver a spectrum of therapeutic and imaging agents for medical purposes.
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