ArticleProceedings of the National Academy of Sciences of the United States of America2002
Molecular dynamics analysis of a buckyball-antibody complex.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2002. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
What it found
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
12 citing papers in PubMed.
- Review
- Nanoparticle Based Cardiac Specific Drug Delivery.Biology · 2023Review
- Nanotechnology: from In Vivo Imaging System to Controlled Drug Delivery.Nanoscale research letters · 2017Review
- NanoEHS beyond Toxicity - Focusing on Biocorona.Environmental science. Nano · 2017Article
- Computational studies of the binding mechanisms of fullerenes to human serum albumin.Journal of molecular modeling · 2015Article
- Chemical basis of interactions between engineered nanoparticles and biological systems.Chemical reviews · 2014Review
- Molecular modeling in structural nano-toxicology: interactions of nano-particles with nano-machinery of cells.Advanced drug delivery reviews · 2013Review
- Dimensionality of carbon nanomaterials determines the binding and dynamics of amyloidogenic peptides: multiscale theoretical simulations.PLoS computational biology · 2013Article
- Nanomaterials in biological environment: a review of computer modelling studies.European biophysics journal : EBJ · 2011Review
- Design of therapeutic proteins with enhanced stability.Proceedings of the National Academy of Sciences of the United States of America · 2009Article
- Visible fluorescence chemosensor for saxitoxin.The Journal of organic chemistry · 2007Article
- C60 binds to and deforms nucleotides.Biophysical journal · 2005Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
This is a multinanosecond molecular dynamics study of a bio-nano complex formed by a carbon nanoparticle, a buckyball C(60), and a biological molecule, an antibody, with high binding affinity and specificity. In the simulation, the ball is completely desolvated by the binding site of the antibody by means of a nearly perfect shape complementarity and extensive side-chain interactions, with the exception that about 17% of the surface is persistently exposed to solvent and could be used for functional derivatization. The interactions are predominantly hydrophobic, but significant polar interactions occur as well. There exists a rich body of various pi-stacking interactions. Aromatic side chains are involved in both double and triple stackings with the ball. Some ionic side chains, such as the guanidinium group of arginine, also form pi-stackings with the ball. The results suggest that pi-stackings are very efficient and common modes of biological recognition of pi-electron-rich carbon nanoparticles. Most importantly, the results demonstrate that, in general, an ordinary protein binding site, such as that of an antibody, can readily bind to a carbon nanoparticle with high affinity and specificity through recognition modes that are common in protein-ligand recognition.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.