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Issue 5, 2014
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Pharmacoinformatic approaches to understand complexation of dendrimeric nanoparticles with drugs

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Abstract

Nanoparticle based drug delivery systems are gaining popularity due to their wide spectrum advantages over traditional drug delivery systems; among them, dendrimeric nano-vectors are the most widely explored carriers for pharmaceutical and biomedical applications. The precise mechanism of encapsulation of drug molecules inside the dendritic matrix, delivery of drugs into specific cells, interactions of nano-formulation with biological targets and proteins, etc. present a substantial challenge to the scientific understanding of the subject. Computational methods complement experimental techniques in the design and optimization of drug delivery systems, thus minimizing the investment in drug design and development. Significant progress in computer simulations could facilitate an understanding of the precise mechanism of encapsulation of bioactive molecules and their delivery. This review summarizes the pharmacoinformatic studies spanning from quantum chemical calculations to coarse-grained simulations, aimed at providing better insight into dendrimer–drug interactions and the physicochemical parameters influencing the binding and release mechanism of drugs.

Graphical abstract: Pharmacoinformatic approaches to understand complexation of dendrimeric nanoparticles with drugs

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Publication details

The article was received on 11 Oct 2013, accepted on 15 Nov 2013 and first published on 18 Nov 2013


Article type: Review Article
DOI: 10.1039/C3NR05400D
Nanoscale, 2014,6, 2476-2501

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    Pharmacoinformatic approaches to understand complexation of dendrimeric nanoparticles with drugs

    V. Jain and P. V. Bharatam, Nanoscale, 2014, 6, 2476
    DOI: 10.1039/C3NR05400D

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