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Designing super selectivity in multivalent nano-particle binding

Proceedings of the National Academy of Sciences - PNAS, 2011-07, Vol.108 (27), p.10963-10968 [Peer Reviewed Journal]

copyright © 1993–2008 National Academy of Sciences of the United States of America ;Copyright National Academy of Sciences Jul 5, 2011 ;ISSN: 0027-8424 ;EISSN: 1091-6490 ;DOI: 10.1073/pnas.1105351108 ;PMID: 21690358

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Title:
Designing super selectivity in multivalent nano-particle binding
Author: Martinez-Veracoechea, Francisco J ; Frenkel, Daan
Subjects: Adsorption ; Analytical models ; Binding Sites ; Biological Sciences ; Computer Simulation ; Drug Delivery Systems ; Drug Design ; Free energy ; Ligands ; Mathematical independent variables ; mathematical models ; Modeling ; Models, Biological ; Monte Carlo Method ; Monte Carlo simulation ; Nanoparticles ; Nanoparticles - administration & dosage ; Nanoparticles - chemistry ; Particle interactions ; Physical Sciences ; prediction ; Receptors ; Receptors, Cell Surface - metabolism ; Simulations
Is Part Of: Proceedings of the National Academy of Sciences - PNAS, 2011-07, Vol.108 (27), p.10963-10968
Description: A key challenge in nano-science is to design ligand-coated nano-particles that can bind selectively to surfaces that display the cognate receptors above a threshold (surface) concentration. Nano-particles that bind monovalently to a target surface do not discriminate sharply between surfaces with high and low receptor coverage. In contrast, "multivalent" nano-particles that can bind to a larger number of ligands simultaneously, display regimes of "super selectivity" where the fraction of bound particles varies sharply with the receptor concentration. We present numerical simulations that show that multivalent nano-particles can be designed such that they approach the "on-off" binding behavior ideal for receptor-concentration selective targeting. We propose a simple analytical model that accounts for the super selective behavior of multivalent nano-particles. The model shows that the super selectivity is due to the fact that the number of distinct ligand-receptor binding arrangements increases in a highly nonlinear way with receptor coverage. Somewhat counterintuitively, our study shows that selectivity can be improved by making the individual ligand-receptor bonds weaker. We propose a simple rule of thumb to predict the conditions under which super selectivity can be achieved. We validate our model predictions against the Monte Carlo simulations.
Publisher: United States: National Academy of Sciences
Language: English
Identifier: ISSN: 0027-8424
EISSN: 1091-6490
DOI: 10.1073/pnas.1105351108
PMID: 21690358
Source: Freely Accessible Journals
MEDLINE
PubMed Central

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Designing super selectivity in multivalent nano-particle binding

copyright © 1993–2008 National Academy of Sciences of the United States of America ;Copyright National Academy of Sciences Jul 5, 2011 ;ISSN: 0027-8424 ;EISSN: 1091-6490 ;DOI: 10.1073/pnas.1105351108 ;PMID: 21690358

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