J Chem Inf Model - Aggregation properties of a polymeric anticancer therapeutic: a coarse-grained modeling study.

Tópicos

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Resumo

The effects of paclitaxel (PTX) loading fraction and spatial PTX arrangement on poly(-glutamyl-glutamate) paclitaxel (PGG-PTX) aggregation were explored using coarse-grained molecular dynamics. Results show that the PTX loading fraction does not significantly impact aggregation, and the spatial PTX arrangement only affects aggregation at more concentrated PTX arrangements. Overall, the f(PTX) = 0.37 'ends' and f(PTX) = 0.18 'even' PGG-PTX systems exhibit the highest aggregation and the 'middle' and 'side' systems the lowest.

Resumo Limpo

effect paclitaxel ptx load fraction spatial ptx arrang polyglutamylglutam paclitaxel pggptx aggreg explor use coarsegrain molecular dynam result show ptx load fraction signific impact aggreg spatial ptx arrang affect aggreg concentr ptx arrang overal fptx end fptx even pggptx system exhibit highest aggreg middl side system lowest

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