Design of Multivalent Inhibitors for Preventing Cellular Uptake

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Publikace nespadá pod Pedagogickou fakultu, ale pod Středoevropský technologický institut. Oficiální stránka publikace je na webu muni.cz.
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SCHUBERTOVÁ Veronika MARTINEZ-VERACOECHEA F.J. VÁCHA Robert

Rok publikování 2017
Druh Článek v odborném periodiku
Časopis / Zdroj Scientific Reports
Fakulta / Pracoviště MU

Středoevropský technologický institut

Citace
www https://www.nature.com/articles/s41598-017-11735-7.pdf
Doi http://dx.doi.org/10.1038/s41598-017-11735-7
Obor Fyzikální chemie a teoretická chemie
Klíčová slova RECEPTOR-MEDIATED ENDOCYTOSIS; SHAPE ANISOTROPY; NANOPARTICLES; NEUTRALIZATION; MATTER; VIRUS
Popis Cellular entry, the frst crucial step of viral infection, can be inhibited by molecules adsorbed on the virus surface. However, apart from using stronger afnity, little is known about the properties of such inhibitors that could increase their efectiveness. Our simulations showed that multivalent inhibitors can be designed to be much more efcient than their monovalent counterparts. For example, for our particular simulation model, a single multivalent inhibitor spanning 5 to 6 binding sites is enough to prevent the uptake compared to the required 1/3 of all the receptor binding sites needed to be blocked by monovalent inhibitors. Interestingly, multivalent inhibitors are more efcient in inhibiting the uptake not only due to their increased afnity but mainly due to the co-localization of the inhibited receptor binding sites at the virion’s surface. Furthermore, we show that Janus-like inhibitors do not induce virus aggregation. Our fndings may be generalized to other uptake processes including bacteria and drug-delivery.
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