![[feed]](/style/images/feed-icon-14x14.png){kind=icon}
Investigating curcuminoid encapsulation in β-cyclodextrin: Insights from NMR spectroscopy and MD simulations
Naresh, K. S. and Suleman Jalilahmad, Ansari and Anisha, Biswas and Usharani, Dandamudi and Santosh, Mogurampelly and Sachin Chaudhari, R. (2025) Investigating curcuminoid encapsulation in β-cyclodextrin: Insights from NMR spectroscopy and MD simulations. Food Hydrocolloids, 162. pp. 1-12.
![[img]](http://ir.cftri.res.in/style/images/fileicons/other.png) |
PDF
1-s2.0-S0268005X24012323-main.pdf - Published Version Restricted to Registered users only Download (4MB) | Request a copy |
Abstract
Curcuminoids, key bioactive compounds in turmeric, exhibit significant health benefits but suffer from poor bioavailability, limiting their therapeutic potential. Cyclodextrin (CD) encapsulation is a promising strategy to enhance bioavailability, yet studies primarily focus on curcumin (CUR), with limited exploration of other major curcuminoids such as demethoxycurcumin (DMC) and bisdemethoxycurcumin (BDMC). This study provides a comprehensive comparative analysis of the encapsulation behavior of CUR, DMC, and BDMC within β-cyclodextrin (β-CD) using a combination of phase solubility analysis, NMR spectroscopy (1D-1H NMR, 2D-NOESY and DOSY), and molecular dynamics (MD) simulations. 1H NMR, NOESY spectra and diffusion studies revealed the strongest inclusion complex formation for BDMC, confirmed by phase stability constants (K). Molecular dynamics simulations further quantified the interaction strength through radial distribution functions (RDFs), close contact analyses, and hydrogen bonding patterns, highlighting the absence of -OCH3 groups in BDMC as a key factor for enhanced interaction. These findings provide crucial mechanistic insights into curcuminoids encap sulation, suggesting BDMC as a superior candidate for β-CD formulations, with implications for developing more effective nutraceutical and drug delivery system
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | Curcuminoids, β-Cyclodextrin, Encapsulation, NMR spectroscopy, MD simulation |
| Subjects: | 600 Technology > 08 Food technology > 30 Spices/Condiments > 07 Turmeric |
| Divisions: | Food Safety Analytical Quality Control Lab |
| Depositing User: | Somashekar K S |
| Date Deposited: | 25 Feb 2025 04:32 |
| Last Modified: | 25 Feb 2025 04:32 |
| URI: | http://ir.cftri.res.in/id/eprint/19136 |
Actions (login required)
 |
View Item |