Inclusion complexes of pantoprazole with β-cyclodextrin and cucurbit[7]uril: experimental and molecular modeling study

Inclusion complexes of pantoprazole with β-cyclodextrin and cucurbit[7]uril: experimental and... The inclusion complexes of the proton pump inhibitor (PPI) pantoprazole sodium (PNZ ) with β-cyclodextrin (βCD) and Na cucurbit[7]uril (CB[7]) have been investigated. Fluorescence spectroscopy and electrospray ionization mass spectrometry (ESI-MS) were used to characterize these complexes. The fluorescence intensity of PNZ was remarkably enhanced by both Na hosts, indicating the formation of the complexes. Nevertheless, the two hosts are of comparable cavity size their effect on the fluorescence of PNZ was quite different. The ESI-MS data on the other hand confirmed the formation of a 1:1 PNZ : Na Na host inclusion complexes for the two hosts. We further utilized molecular dynamics to shed more light on the mechanism of complexation and on the stability of these complexes in aqueous media. The complexes were stabilized over the 20 ns of simulation time mainly via hydrogen bonding interactions in addition to hydrophobic effects and van der Waals interactions. Snapshots collected during the simulations for both complexes have clearly shown that the mode of insertion of PNZ into the two host’s cavities are different which explain the difference in fluorescence enhancement of PNZ obtained in presence of each of these hosts. Keywords Pantoprazole · Cyclodextrin · Cucurbit[7]uril · Fluorescence spectroscopy · Molecular dynamics Introduction as http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of Inclusion Phenomena and Macrocyclic Chemistry Springer Journals

Inclusion complexes of pantoprazole with β-cyclodextrin and cucurbit[7]uril: experimental and molecular modeling study

Loading next page...
 
/lp/springer_journal/inclusion-complexes-of-pantoprazole-with-cyclodextrin-and-cucurbit-7-1jhVH3Xprj
Publisher
Springer Journals
Copyright
Copyright © 2018 by Springer Science+Business Media B.V., part of Springer Nature
Subject
Chemistry; Organic Chemistry; Food Science; Crystallography and Scattering Methods
ISSN
1388-3127
eISSN
1573-1111
D.O.I.
10.1007/s10847-018-0814-0
Publisher site
See Article on Publisher Site

Abstract

The inclusion complexes of the proton pump inhibitor (PPI) pantoprazole sodium (PNZ ) with β-cyclodextrin (βCD) and Na cucurbit[7]uril (CB[7]) have been investigated. Fluorescence spectroscopy and electrospray ionization mass spectrometry (ESI-MS) were used to characterize these complexes. The fluorescence intensity of PNZ was remarkably enhanced by both Na hosts, indicating the formation of the complexes. Nevertheless, the two hosts are of comparable cavity size their effect on the fluorescence of PNZ was quite different. The ESI-MS data on the other hand confirmed the formation of a 1:1 PNZ : Na Na host inclusion complexes for the two hosts. We further utilized molecular dynamics to shed more light on the mechanism of complexation and on the stability of these complexes in aqueous media. The complexes were stabilized over the 20 ns of simulation time mainly via hydrogen bonding interactions in addition to hydrophobic effects and van der Waals interactions. Snapshots collected during the simulations for both complexes have clearly shown that the mode of insertion of PNZ into the two host’s cavities are different which explain the difference in fluorescence enhancement of PNZ obtained in presence of each of these hosts. Keywords Pantoprazole · Cyclodextrin · Cucurbit[7]uril · Fluorescence spectroscopy · Molecular dynamics Introduction as

Journal

Journal of Inclusion Phenomena and Macrocyclic ChemistrySpringer Journals

Published: May 28, 2018

References

You’re reading a free preview. Subscribe to read the entire article.


DeepDyve is your
personal research library

It’s your single place to instantly
discover and read the research
that matters to you.

Enjoy affordable access to
over 18 million articles from more than
15,000 peer-reviewed journals.

All for just $49/month

Explore the DeepDyve Library

Search

Query the DeepDyve database, plus search all of PubMed and Google Scholar seamlessly

Organize

Save any article or search result from DeepDyve, PubMed, and Google Scholar... all in one place.

Access

Get unlimited, online access to over 18 million full-text articles from more than 15,000 scientific journals.

Your journals are on DeepDyve

Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more.

All the latest content is available, no embargo periods.

See the journals in your area

DeepDyve

Freelancer

DeepDyve

Pro

Price

FREE

$49/month
$360/year

Save searches from
Google Scholar,
PubMed

Create lists to
organize your research

Export lists, citations

Read DeepDyve articles

Abstract access only

Unlimited access to over
18 million full-text articles

Print

20 pages / month

PDF Discount

20% off