Requirements of Constrictive Binding and Dynamic Systems on Molecular Cages for Drug Delivery DOI Open Access
Giovanni Montà-González, Ramón Martínez‐Máñez, Vicente Martí‐Centelles

et al.

Targets, Journal Year: 2024, Volume and Issue: 2(4), P. 372 - 384

Published: Nov. 19, 2024

Molecular cages have promising host–guest properties for drug delivery applications. Specifically, guest⊂cage complexes can be used the on-command release of encapsulated guest molecules in response to specific stimuli. This research explores both dynamic and constrictive binding systems encapsulation biological environments. In systems, rapidly passes in-and-out through portals cage, enabling vitro but facing limitations vivo due dilution effects that result release. These challenges are addressed by where is trapped a “gate-closed” state within cage. these triggered “gate opening” event, which lowers guest–out energy barrier. A full achieved when gate opening reduces cage–guest affinity, making more effective controlled delivery. As result, this study shows suitable contexts.

Language: Английский

Dissecting the Effects of Cage Structure in the Catalytic Activation of Imide Chlorenium-Ion Donors DOI Creative Commons
Hang Zhou, Tomasz K. Piskorz, Keyu Liu

et al.

Journal of the American Chemical Society, Journal Year: 2025, Volume and Issue: unknown

Published: March 21, 2025

Imide-based chlorinating reagents are mild and easy to use yet can lack the reactivity of charged chlorenium-ion donors. Here, we present a simple strategy for increasing these neutral species by encapsulation inside cationic coordination cage. Using this approach, demonstrate that two different-sized Pd2L4 cages catalyze chlorolactonization chlorocycloetherification reactions acid alcohol functionalized α β-substituted styrene substrates with either 1,3-dichloro-5,5-dimethylhydantoin (DCDMH) or N-chlorosuccinimide (NCS) as chlorenium sources. A kinetic study shows proficient catalysts significant acceleration up 105. However, an unexpected dichotomy is revealed wherein smaller cage, which best preorganized bind nominally provide maximum activation imide reagent, order magnitude less than larger cage has apparently mismatched host–guest chemistry. When scope further extended chlorination simple, unfunctionalized α-methylstyrene, same pattern observed, suggesting differences not explained coencapsulation. Computational studies indicate trend in caused transition state being fixed allowing it find optimal binding thereby generate stronger interactions. This investigation highlights importance understanding underlying mechanisms design new noncovalent greater range transformations.

Language: Английский

Citations

0
Synthesis of a Pd2L4 Hydrazone Molecular Cage Through Multiple Reaction Pathways DOI Open Access
Giovanni Montà-González, Ramón Martínez‐Máñez, Vicente Martí‐Centelles

et al.

International Journal of Molecular Sciences, Journal Year: 2024, Volume and Issue: 25(22), P. 11861 - 11861

Published: Nov. 5, 2024

Molecular cages are preorganized molecules with a central cavity, typically formed through the reaction of their building blocks chemical bonds. This requires, in most cases, forming and breaking reversible bonds during cage formation pathway for error correction to drive product. In this work, we focus on both Pd-ligand hydrazone implemented structure Pd

Language: Английский

Citations

0
Requirements of Constrictive Binding and Dynamic Systems on Molecular Cages for Drug Delivery DOI Open Access
Giovanni Montà-González, Ramón Martínez‐Máñez, Vicente Martí‐Centelles

et al.

Targets, Journal Year: 2024, Volume and Issue: 2(4), P. 372 - 384

Published: Nov. 19, 2024

Molecular cages have promising host–guest properties for drug delivery applications. Specifically, guest⊂cage complexes can be used the on-command release of encapsulated guest molecules in response to specific stimuli. This research explores both dynamic and constrictive binding systems encapsulation biological environments. In systems, rapidly passes in-and-out through portals cage, enabling vitro but facing limitations vivo due dilution effects that result release. These challenges are addressed by where is trapped a “gate-closed” state within cage. these triggered “gate opening” event, which lowers guest–out energy barrier. A full achieved when gate opening reduces cage–guest affinity, making more effective controlled delivery. As result, this study shows suitable contexts.

Language: Английский

Citations

0