Supramolecular encapsulation of a Rho kinase inhibitor by cucurbit[7]uril

UM > Institute of Chinese Medical Sciences

Status	已發表Published
	Supramolecular encapsulation of a Rho kinase inhibitor by cucurbit[7]uril
	Yin, H.; Chen, L.; Lee, M. Y.; Wang, R.
	2016-08-20
Source Publication	The 10th National Symposium for Supramolecular Chemistry
Abstract	Fasudil, a Rho kinase (ROCK) inhibitor that has shown a great potential in protection of the central nervous system by promoting neurite outgrowth, is encapsulated by cucurbit[7]uril (CB[7]) in 1:1 stoichiometry with the binding affinity of 2.2 (± 0.12) × 103 M-1 and 4.28 (± 0.21) × 106 M-1 under physiological and acidic conditions, respectively. A pKa shift of 2.91 of the guest drug molecule (pyridine N) was observed upon its inclusion by CB[7]. The 1:1 host-guest complexes have been fully examined by 1H NMR, UV-visible spectroscopic titration (including Job’s plot), electrospray ionization mass spectrometry (ESI-MS) and isothermal titration calorimetry (ITC). In vitro study on SH-SY5Y cell line showed that the complexation has preserved the bio-activity of fasudil on neurite outgrowth. This study may provide a novel formulation of fasudil for improved administration and controlled release via supramolecular encapsulation by macrocyclic molecules.
Keyword	Cucurbit[7]uril Rho kinase inhibitor Host-guest interaction
Language	英語English
The Source to Article	PB_Publication
PUB ID	38959
Document Type	Conference paper
Collection	Institute of Chinese Medical Sciences
Corresponding Author	Wang, R.
Recommended Citation GB/T 7714	Yin, H.,Chen, L.,Lee, M. Y.,et al. Supramolecular encapsulation of a Rho kinase inhibitor by cucurbit[7]uril[C], 2016.
APA	Yin, H.., Chen, L.., Lee, M. Y.., & Wang, R. (2016). Supramolecular encapsulation of a Rho kinase inhibitor by cucurbit[7]uril. The 10th National Symposium for Supramolecular Chemistry.

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